CID 858193

N-(3-chlorophenyl)-4-phenyl-1-piperazinecarboxamide

Structural Information

Molecular Formula
C17H18ClN3O
SMILES
C1CN(CCN1C2=CC=CC=C2)C(=O)NC3=CC(=CC=C3)Cl
InChI
InChI=1S/C17H18ClN3O/c18-14-5-4-6-15(13-14)19-17(22)21-11-9-20(10-12-21)16-7-2-1-3-8-16/h1-8,13H,9-12H2,(H,19,22)
InChIKey
ZLBXUONOZMWQLS-UHFFFAOYSA-N
Compound name
N-(3-chlorophenyl)-4-phenylpiperazine-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

315.11383 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.12111 173.4
[M+Na]+ 338.10305 178.6
[M-H]- 314.10655 179.1
[M+NH4]+ 333.14765 184.8
[M+K]+ 354.07699 172.3
[M+H-H2O]+ 298.11109 163.0
[M+HCOO]- 360.11203 186.8
[M+CH3COO]- 374.12768 182.5
[M+Na-2H]- 336.08850 176.7
[M]+ 315.11328 169.8
[M]- 315.11438 169.8
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

No patent data available for this compound.