Metabolite Desmethylpromethazine

Name

Desmethylpromethazine

Description

Not Available

Structure

Similar Structures

Synonyms

Not Available

UNII

906QAW7T4F

CAS number

Not Available

Weight

Average: 270.39
Monoisotopic: 270.119069762

Chemical Formula

C₁₆H₁₈N₂S

InChI Key

IJOZCCILCJIHOA-UHFFFAOYSA-N

InChI

InChI=1S/C16H18N2S/c1-12(17-2)11-18-13-7-3-5-9-15(13)19-16-10-6-4-8-14(16)18/h3-10,12,17H,11H2,1-2H3

IUPAC Name

methyl[1-(10H-phenothiazin-10-yl)propan-2-yl]amine

SMILES

[H]N(C)C(C)CN1C2=CC=CC=C2SC2=CC=CC=C12

Reactions

Spectra

Spectrum	Spectrum Type	Splash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)	Predicted LC-MS/MS	splash10-00di-9000000000-193aaf3f5219f61b15d9
Predicted MS/MS Spectrum - 10V, Negative (Annotated)	Predicted LC-MS/MS	splash10-000i-0090000000-d41ccdb9f95b956d43a7
Predicted MS/MS Spectrum - 20V, Positive (Annotated)	Predicted LC-MS/MS	splash10-006x-9020000000-d8227f7c2d7b987366b9
Predicted MS/MS Spectrum - 20V, Negative (Annotated)	Predicted LC-MS/MS	splash10-014i-0290000000-c01a9f1e9b11987f821e
Predicted MS/MS Spectrum - 40V, Positive (Annotated)	Predicted LC-MS/MS	splash10-0udi-6970000000-6d6ccac1b18cd4600d4c
Predicted MS/MS Spectrum - 40V, Negative (Annotated)	Predicted LC-MS/MS	splash10-01ot-0950000000-b2aada9f9b1e4d089828

Chromatographic Properties

Adduct	CCS Value (Å²)	Source type	Source
[M-H]-	154.13194	predicted	DeepCCS 1.0 (2019)
[M+H]+	156.48996	predicted	DeepCCS 1.0 (2019)
[M+Na]+	162.5831	predicted	DeepCCS 1.0 (2019)

External Links

Predicted Properties