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

2
Patents

253.09819 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.10547 156.8
[M+Na]+ 276.08741 161.3
[M-H]- 252.09091 157.8
[M+NH4]+ 271.13201 170.0
[M+K]+ 292.06135 156.0
[M+H-H2O]+ 236.09545 148.8
[M+HCOO]- 298.09639 167.6
[M+CH3COO]- 312.11204 192.0
[M+Na-2H]- 274.07286 158.5
[M]+ 253.09764 150.4
[M]- 253.09874 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