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]+ 316.121106 173.4
[M+Na]+ 338.103048 178.6
[M-H]- 314.106554 179.1
[M+NH4]+ 333.147653 184.8
[M+K]+ 354.076988 172.3
[M+H-H2O]+ 298.111090 163.0
[M+HCOO]- 360.112031 186.8
[M+CH3COO]- 374.127681 182.5
[M+Na-2H]- 336.088496 176.7
[M]+ 315.11328142 169.8
[M]- 315.11437858 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.