CID 16227109

2-(4-chlorophenyl)-2-(piperazin-1-yl)acetamide dihydrochloride

Structural Information

Molecular Formula
C12H16ClN3O
SMILES
C1CN(CCN1)C(C2=CC=C(C=C2)Cl)C(=O)N
InChI
InChI=1S/C12H16ClN3O/c13-10-3-1-9(2-4-10)11(12(14)17)16-7-5-15-6-8-16/h1-4,11,15H,5-8H2,(H2,14,17)
InChIKey
UHVJDQMURFCSEY-UHFFFAOYSA-N
Compound name
2-(4-chlorophenyl)-2-piperazin-1-ylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

253.09819 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.105466 156.8
[M+Na]+ 276.087408 161.3
[M-H]- 252.090914 157.8
[M+NH4]+ 271.132013 170.0
[M+K]+ 292.061348 156.0
[M+H-H2O]+ 236.095450 148.8
[M+HCOO]- 298.096391 167.6
[M+CH3COO]- 312.112041 192.0
[M+Na-2H]- 274.072856 158.5
[M]+ 253.09764142 150.4
[M]- 253.09873858 150.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe