CID 858175

4-benzyl-n-(3-chlorophenyl)-1-piperazinecarboxamide

Structural Information

Molecular Formula
C18H20ClN3O
SMILES
C1CN(CCN1CC2=CC=CC=C2)C(=O)NC3=CC(=CC=C3)Cl
InChI
InChI=1S/C18H20ClN3O/c19-16-7-4-8-17(13-16)20-18(23)22-11-9-21(10-12-22)14-15-5-2-1-3-6-15/h1-8,13H,9-12,14H2,(H,20,23)
InChIKey
JSOHNHBDVGATFA-UHFFFAOYSA-N
Compound name
4-benzyl-N-(3-chlorophenyl)piperazine-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

329.1295 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.13678 177.8
[M+Na]+ 352.11872 182.6
[M-H]- 328.12222 183.3
[M+NH4]+ 347.16332 188.6
[M+K]+ 368.09266 176.0
[M+H-H2O]+ 312.12676 167.1
[M+HCOO]- 374.12770 190.8
[M+CH3COO]- 388.14335 186.5
[M+Na-2H]- 350.10417 180.5
[M]+ 329.12895 174.5
[M]- 329.13005 174.5
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.