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]+ 254.10547 156.8
[M+Na]+ 276.08741 161.6
[M-H]- 252.09091 158.1
[M+NH4]+ 271.13201 170.4
[M+K]+ 292.06135 156.2
[M+H-H2O]+ 236.09545 148.5
[M+HCOO]- 298.09639 169.2
[M+CH3COO]- 312.11204 191.0
[M+Na-2H]- 274.07286 160.6
[M]+ 253.09764 151.8
[M]- 253.09874 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.