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

20
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 196.1
[M+Na]+ 442.13265 203.0
[M-H]- 418.13615 197.5
[M+NH4]+ 437.17725 205.0
[M+K]+ 458.10659 194.7
[M+H-H2O]+ 402.14069 186.4
[M+HCOO]- 464.14163 197.4
[M+CH3COO]- 478.15728 202.7
[M+Na-2H]- 440.11810 196.3
[M]+ 419.14288 197.5
[M]- 419.14398 197.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.