Metabolite N-desmethyl prochlorperazine

Name

N-desmethyl prochlorperazine

Description

Not Available

Structure

Similar Structures

Synonyms

Not Available

UNII

N01H72E9FG

CAS number

Not Available

Weight

Average: 359.92
Monoisotopic: 359.1222966

Chemical Formula

C₁₉H₂₂ClN₃S

InChI Key

ZWIQAXTYRCAVFE-UHFFFAOYSA-N

InChI

InChI=1S/C19H22ClN3S/c20-15-6-7-19-17(14-15)23(16-4-1-2-5-18(16)24-19)11-3-10-22-12-8-21-9-13-22/h1-2,4-7,14,21H,3,8-13H2

IUPAC Name

2-chloro-10-[3-(piperazin-1-yl)propyl]-10H-phenothiazine

SMILES

ClC1=CC2=C(SC3=CC=CC=C3N2CCCN2CCNCC2)C=C1

Reactions

Spectra

Spectrum	Spectrum Type	Splash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)	Predicted LC-MS/MS	splash10-03di-0029000000-e693a80dc6a0a5c707f6
Predicted MS/MS Spectrum - 10V, Negative (Annotated)	Predicted LC-MS/MS	splash10-0a4i-0009000000-25464bb341a19b672b43
Predicted MS/MS Spectrum - 20V, Positive (Annotated)	Predicted LC-MS/MS	splash10-01t9-5905000000-5a0464d3aa0507f84dad
Predicted MS/MS Spectrum - 20V, Negative (Annotated)	Predicted LC-MS/MS	splash10-0a4i-1049000000-1f278399599ff7b17cf2
Predicted MS/MS Spectrum - 40V, Positive (Annotated)	Predicted LC-MS/MS	splash10-0ac4-5229000000-b9f19139040cdd604183
Predicted MS/MS Spectrum - 40V, Negative (Annotated)	Predicted LC-MS/MS	splash10-001i-9371000000-e00a019cc0a29877159a
Predicted MS/MS Spectrum - 10V, Positive (Annotated)	Predicted LC-MS/MS	splash10-03di-0029000000-e693a80dc6a0a5c707f6
Predicted MS/MS Spectrum - 10V, Negative (Annotated)	Predicted LC-MS/MS	splash10-0a4i-0009000000-25464bb341a19b672b43
Predicted MS/MS Spectrum - 20V, Positive (Annotated)	Predicted LC-MS/MS	splash10-01t9-5905000000-5a0464d3aa0507f84dad
Predicted MS/MS Spectrum - 20V, Negative (Annotated)	Predicted LC-MS/MS	splash10-0a4i-1049000000-1f278399599ff7b17cf2
Predicted MS/MS Spectrum - 40V, Positive (Annotated)	Predicted LC-MS/MS	splash10-0ac4-5229000000-b9f19139040cdd604183
Predicted MS/MS Spectrum - 40V, Negative (Annotated)	Predicted LC-MS/MS	splash10-001i-9371000000-e00a019cc0a29877159a

Chromatographic Properties

Adduct	CCS Value (Å²)	Source type	Source
[M-H]-	181.02415	predicted	DeepCCS 1.0 (2019)
[M-H]-	179.46489	predicted	DeepCCS 1.0 (2019)
[M-H]-	181.02415	predicted	DeepCCS 1.0 (2019)
[M-H]-	179.46489	predicted	DeepCCS 1.0 (2019)
[M+H]+	182.86508	predicted	DeepCCS 1.0 (2019)
[M+H]+	181.82288	predicted	DeepCCS 1.0 (2019)
[M+H]+	182.86508	predicted	DeepCCS 1.0 (2019)
[M+H]+	181.82288	predicted	DeepCCS 1.0 (2019)
[M+Na]+	188.73195	predicted	DeepCCS 1.0 (2019)
[M+Na]+	187.91602	predicted	DeepCCS 1.0 (2019)
[M+Na]+	188.73195	predicted	DeepCCS 1.0 (2019)
[M+Na]+	187.91602	predicted	DeepCCS 1.0 (2019)

External Links

Predicted Properties