CID 2531869

N-(2-chlorophenyl)-2-(piperazin-1-yl)acetamide hydrochloride

Structural Information

Molecular Formula
C12H16ClN3O
SMILES
C1CN(CCN1)CC(=O)NC2=CC=CC=C2Cl
InChI
InChI=1S/C12H16ClN3O/c13-10-3-1-2-4-11(10)15-12(17)9-16-7-5-14-6-8-16/h1-4,14H,5-9H2,(H,15,17)
InChIKey
PEUDTGQBHWMHRS-UHFFFAOYSA-N
Compound name
N-(2-chlorophenyl)-2-piperazin-1-ylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

253.09819 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.105466 156.8
[M+Na]+ 276.087408 161.6
[M-H]- 252.090914 158.1
[M+NH4]+ 271.132013 170.4
[M+K]+ 292.061348 156.2
[M+H-H2O]+ 236.095450 148.5
[M+HCOO]- 298.096391 169.2
[M+CH3COO]- 312.112041 191.0
[M+Na-2H]- 274.072856 160.6
[M]+ 253.09764142 151.8
[M]- 253.09873858 151.8
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.