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
3
Annotation Hits

0
References

16
Patents

419.14343 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 420.15071 197.9
[M+Na]+ 442.13265 212.7
[M+NH4]+ 437.17725 205.9
[M+K]+ 458.10659 201.0
[M-H]- 418.13615 201.6
[M+Na-2H]- 440.11810 202.5
[M]+ 419.14288 201.8
[M]- 419.14398 201.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe