CID 4748

Perphenazine

Structural Information

Molecular Formula

C₂₁H₂₆ClN₃OS

SMILES

C1CN(CCN1CCCN2C3=CC=CC=C3SC4=C2C=C(C=C4)Cl)CCO

InChI

InChI=1S/C21H26ClN3OS/c22-17-6-7-21-19(16-17)25(18-4-1-2-5-20(18)27-21)9-3-8-23-10-12-24(13-11-23)14-15-26/h1-2,4-7,16,26H,3,8-15H2

InChIKey

RGCVKNLCSQQDEP-UHFFFAOYSA-N

Compound name

2-[4-[3-(2-chlorophenothiazin-10-yl)propyl]piperazin-1-yl]ethanol

Related CIDs

2D Structure

compound 2d structure

8
Annotation Hits: 1708
References: 31223
Patents: 403.1485 Da
Monoisotopic Mass: 4.2
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]+	404.155776	192.2
[M+Na]+	426.137718	198.3
[M-H]-	402.141224	193.3
[M+NH4]+	421.182323	201.7
[M+K]+	442.111658	189.8
[M+H-H2O]+	386.145760	182.4
[M+HCOO]-	448.146701	193.3
[M+CH3COO]-	462.162351	198.7
[M+Na-2H]-	424.123166	193.0
[M]+	403.14795142	192.5
[M]-	403.14904858	192.5

Literature stripe

literature stripe

Patent stripe

patents stripe