CID 16771585

4-(4-amino-2-chlorophenyl)piperazin-2-one

Structural Information

Molecular Formula
C10H12ClN3O
SMILES
C1CN(CC(=O)N1)C2=C(C=C(C=C2)N)Cl
InChI
InChI=1S/C10H12ClN3O/c11-8-5-7(12)1-2-9(8)14-4-3-13-10(15)6-14/h1-2,5H,3-4,6,12H2,(H,13,15)
InChIKey
SHKPSWYANLFXMY-UHFFFAOYSA-N
Compound name
4-(4-amino-2-chlorophenyl)piperazin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

225.0669 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.07418 149.3
[M+Na]+ 248.05612 157.1
[M-H]- 224.05962 151.1
[M+NH4]+ 243.10072 164.4
[M+K]+ 264.03006 151.3
[M+H-H2O]+ 208.06416 141.8
[M+HCOO]- 270.06510 162.7
[M+CH3COO]- 284.08075 186.6
[M+Na-2H]- 246.04157 152.7
[M]+ 225.06635 144.0
[M]- 225.06745 144.0
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.