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]+ 251.05818 154.3
[M+Na]+ 273.04012 161.0
[M-H]- 249.04362 154.9
[M+NH4]+ 268.08472 167.8
[M+K]+ 289.01406 154.2
[M+H-H2O]+ 233.04816 147.0
[M+HCOO]- 295.04910 164.8
[M+CH3COO]- 309.06475 185.3
[M+Na-2H]- 271.02557 156.5
[M]+ 250.05035 148.6
[M]- 250.05145 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.