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

5
Annotation Hits: 3
References: 3369
Patents: 401.13287 Da
Monoisotopic Mass: 4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	402.140146	190.9
[M+Na]+	424.122088	196.5
[M-H]-	400.125594	194.2
[M+NH4]+	419.166693	201.7
[M+K]+	440.096028	188.6
[M+H-H2O]+	384.130130	181.9
[M+HCOO]-	446.131071	194.2
[M+CH3COO]-	460.146721	197.9
[M+Na-2H]-	422.107536	191.1
[M]+	401.13232142	189.9
[M]-	401.13341858	189.9

Literature stripe

literature stripe

Patent stripe

patents stripe