CID 1885197

Piperazinone, 3-(2-(4-chlorophenyl)-2-oxoethylidene)-

Structural Information

Molecular Formula
C12H11ClN2O2
SMILES
C1CNC(=O)/C(=C/C(=O)C2=CC=C(C=C2)Cl)/N1
InChI
InChI=1S/C12H11ClN2O2/c13-9-3-1-8(2-4-9)11(16)7-10-12(17)15-6-5-14-10/h1-4,7,14H,5-6H2,(H,15,17)/b10-7-
InChIKey
KBINWAMUARSJPG-YFHOEESVSA-N
Compound name
(3Z)-3-[2-(4-chlorophenyl)-2-oxoethylidene]piperazin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

250.0509 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.058176 154.3
[M+Na]+ 273.040118 161.0
[M-H]- 249.043624 154.9
[M+NH4]+ 268.084723 167.8
[M+K]+ 289.014058 154.2
[M+H-H2O]+ 233.048160 147.0
[M+HCOO]- 295.049101 164.8
[M+CH3COO]- 309.064751 185.3
[M+Na-2H]- 271.025566 156.5
[M]+ 250.05035142 148.6
[M]- 250.05144858 148.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.