CID 6761

Pipamazine

Structural Information

Molecular Formula
C21H24ClN3OS
SMILES
C1CN(CCC1C(=O)N)CCCN2C3=CC=CC=C3SC4=C2C=C(C=C4)Cl
InChI
InChI=1S/C21H24ClN3OS/c22-16-6-7-20-18(14-16)25(17-4-1-2-5-19(17)27-20)11-3-10-24-12-8-15(9-13-24)21(23)26/h1-2,4-7,14-15H,3,8-13H2,(H2,23,26)
InChIKey
OSJJYEUEJRVVOD-UHFFFAOYSA-N
Compound name
1-[3-(2-chlorophenothiazin-10-yl)propyl]piperidine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

2939
Patents

401.13287 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 402.14015 191.4
[M+Na]+ 424.12209 205.2
[M+NH4]+ 419.16669 200.5
[M+K]+ 440.09603 193.9
[M-H]- 400.12559 196.7
[M+Na-2H]- 422.10754 197.1
[M]+ 401.13232 195.7
[M]- 401.13342 195.7
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