CID 1982926

63656-22-4

Structural Information

Molecular Formula
C13H14N2O3
SMILES
COC1=CC=C(C=C1)C(=O)/C=C\2/C(=O)NCCN2
InChI
InChI=1S/C13H14N2O3/c1-18-10-4-2-9(3-5-10)12(16)8-11-13(17)15-7-6-14-11/h2-5,8,14H,6-7H2,1H3,(H,15,17)/b11-8-
InChIKey
UDQYKAJATPOXHR-FLIBITNWSA-N
Compound name
(3Z)-3-[2-(4-methoxyphenyl)-2-oxoethylidene]piperazin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

246.10045 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.107726 156.2
[M+Na]+ 269.089668 161.6
[M-H]- 245.093174 156.8
[M+NH4]+ 264.134273 168.8
[M+K]+ 285.063608 156.8
[M+H-H2O]+ 229.097710 147.9
[M+HCOO]- 291.098651 171.1
[M+CH3COO]- 305.114301 186.8
[M+Na-2H]- 267.075116 158.3
[M]+ 246.09990142 150.2
[M]- 246.10099858 150.2
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.