CID 82341

Perphenazine sulfoxide

Structural Information

Molecular Formula

C₂₁H₂₆ClN₃O₂S

SMILES

C1CN(CCN1CCCN2C3=CC=CC=C3S(=O)C4=C2C=C(C=C4)Cl)CCO

InChI

InChI=1S/C21H26ClN3O2S/c22-17-6-7-21-19(16-17)25(18-4-1-2-5-20(18)28(21)27)9-3-8-23-10-12-24(13-11-23)14-15-26/h1-2,4-7,16,26H,3,8-15H2

InChIKey

WXJXTMQMAOYROI-UHFFFAOYSA-N

Compound name

2-[4-[3-(2-chloro-5-oxophenothiazin-10-yl)propyl]piperazin-1-yl]ethanol

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 0
References: 20
Patents: 419.14343 Da
Monoisotopic Mass: 2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	420.150706	196.1
[M+Na]+	442.132648	203.0
[M-H]-	418.136154	197.5
[M+NH4]+	437.177253	205.0
[M+K]+	458.106588	194.7
[M+H-H2O]+	402.140690	186.4
[M+HCOO]-	464.141631	197.4
[M+CH3COO]-	478.157281	202.7
[M+Na-2H]-	440.118096	196.3
[M]+	419.14288142	197.5
[M]-	419.14397858	197.5

Literature stripe

literature stripe

Patent stripe

patents stripe