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]+ 226.074176 149.3
[M+Na]+ 248.056118 157.1
[M-H]- 224.059624 151.1
[M+NH4]+ 243.100723 164.4
[M+K]+ 264.030058 151.3
[M+H-H2O]+ 208.064160 141.8
[M+HCOO]- 270.065101 162.7
[M+CH3COO]- 284.080751 186.6
[M+Na-2H]- 246.041566 152.7
[M]+ 225.06635142 144.0
[M]- 225.06744858 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.