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

30997
Patents

403.1485 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 404.15578 192.2
[M+Na]+ 426.13772 198.3
[M-H]- 402.14122 193.3
[M+NH4]+ 421.18232 201.7
[M+K]+ 442.11166 189.8
[M+H-H2O]+ 386.14576 182.4
[M+HCOO]- 448.14670 193.3
[M+CH3COO]- 462.16235 198.7
[M+Na-2H]- 424.12317 193.0
[M]+ 403.14795 192.5
[M]- 403.14905 192.5
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.