Metabolite Prochlorperazine sulfoxide

Name

Prochlorperazine sulfoxide

Description

Not Available

Structure

Similar Structures

Synonyms

Not Available

UNII

0A09U0GEU1

CAS number

Not Available

Weight

Average: 389.94
Monoisotopic: 389.1328613

Chemical Formula

C₂₀H₂₄ClN₃OS

InChI Key

AZGYHFQQUZPAFZ-UHFFFAOYSA-N

InChI

InChI=1S/C20H24ClN3OS/c1-22-11-13-23(14-12-22)9-4-10-24-17-5-2-3-6-19(17)26(25)20-8-7-16(21)15-18(20)24/h2-3,5-8,15H,4,9-14H2,1H3

IUPAC Name

2-chloro-10-[3-(4-methylpiperazin-1-yl)propyl]-10H-5lambda4-phenothiazin-5-one

SMILES

CN1CCN(CCCN2C3=CC=CC=C3S(=O)C3=C2C=C(Cl)C=C3)CC1

Reactions

Spectra

Spectrum	Spectrum Type	Splash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)	Predicted LC-MS/MS	splash10-0006-0039000000-58e00383e99d33a58692
Predicted MS/MS Spectrum - 10V, Negative (Annotated)	Predicted LC-MS/MS	splash10-000l-0009000000-bf84db6920f8108c9fb6
Predicted MS/MS Spectrum - 20V, Positive (Annotated)	Predicted LC-MS/MS	splash10-0006-0329000000-b6d7d7fa369b1ffa9969
Predicted MS/MS Spectrum - 20V, Negative (Annotated)	Predicted LC-MS/MS	splash10-000l-0009000000-dd9846e4a545749a490b
Predicted MS/MS Spectrum - 40V, Positive (Annotated)	Predicted LC-MS/MS	splash10-03di-4943000000-5e8736f7ce8f13ca5cc8
Predicted MS/MS Spectrum - 40V, Negative (Annotated)	Predicted LC-MS/MS	splash10-001i-9037000000-d955f156e0abd8c3528b

Chromatographic Properties

Adduct	CCS Value (Å²)	Source type	Source
[M-H]-	187.6054	predicted	DeepCCS 1.0 (2019)
[M+H]+	189.9634	predicted	DeepCCS 1.0 (2019)
[M+Na]+	197.0741	predicted	DeepCCS 1.0 (2019)

External Links

Predicted Properties