CID 22633065

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

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

253.09819 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.10547 157.6
[M+Na]+ 276.08741 163.7
[M-H]- 252.09091 160.2
[M+NH4]+ 271.13201 171.9
[M+K]+ 292.06135 158.9
[M+H-H2O]+ 236.09545 149.2
[M+HCOO]- 298.09639 170.8
[M+CH3COO]- 312.11204 194.1
[M+Na-2H]- 274.07286 160.0
[M]+ 253.09764 153.8
[M]- 253.09874 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

patents stripe