CID 686674

3-(2-oxo-2-phenylethylidene)-2-piperazinone

Structural Information

Molecular Formula
C12H12N2O2
SMILES
C1CNC(=O)/C(=C/C(=O)C2=CC=CC=C2)/N1
InChI
InChI=1S/C12H12N2O2/c15-11(9-4-2-1-3-5-9)8-10-12(16)14-7-6-13-10/h1-5,8,13H,6-7H2,(H,14,16)/b10-8-
InChIKey
RLNGHWOGDGZTQI-NTMALXAHSA-N
Compound name
(3Z)-3-phenacylidenepiperazin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

0
Patents

216.08987 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.09715 149.0
[M+Na]+ 239.07909 154.1
[M-H]- 215.08259 149.4
[M+NH4]+ 234.12369 162.6
[M+K]+ 255.05303 148.9
[M+H-H2O]+ 199.08713 140.8
[M+HCOO]- 261.08807 164.1
[M+CH3COO]- 275.10372 180.3
[M+Na-2H]- 237.06454 152.3
[M]+ 216.08932 140.8
[M]- 216.09042 140.8
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.