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

3103
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 190.9
[M+Na]+ 424.12209 196.5
[M-H]- 400.12559 194.2
[M+NH4]+ 419.16669 201.7
[M+K]+ 440.09603 188.6
[M+H-H2O]+ 384.13013 181.9
[M+HCOO]- 446.13107 194.2
[M+CH3COO]- 460.14672 197.9
[M+Na-2H]- 422.10754 191.1
[M]+ 401.13232 189.9
[M]- 401.13342 189.9
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