CID 22690400

2-amino-1-[4-(3-chlorophenyl)piperazin-1-yl]ethan-1-one dihydrochloride

Structural Information

Molecular Formula
C12H16ClN3O
SMILES
C1CN(CCN1C2=CC(=CC=C2)Cl)C(=O)CN
InChI
InChI=1S/C12H16ClN3O/c13-10-2-1-3-11(8-10)15-4-6-16(7-5-15)12(17)9-14/h1-3,8H,4-7,9,14H2
InChIKey
BCTOFIULIAPRBT-UHFFFAOYSA-N
Compound name
2-amino-1-[4-(3-chlorophenyl)piperazin-1-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

253.09819 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.105466 157.6
[M+Na]+ 276.087408 163.7
[M-H]- 252.090914 160.2
[M+NH4]+ 271.132013 171.9
[M+K]+ 292.061348 158.9
[M+H-H2O]+ 236.095450 149.2
[M+HCOO]- 298.096391 170.8
[M+CH3COO]- 312.112041 194.1
[M+Na-2H]- 274.072856 160.0
[M]+ 253.09764142 153.8
[M]- 253.09873858 153.8
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

No patent data available for this compound.