CID 6537929

4-[(4-hydroxy-3-methoxyphenyl)methylene]-1-methyl-2,3-pyrrolidinedione

Structural Information

Molecular Formula
C13H13NO4
SMILES
CN1C/C(=C\C2=CC(=C(C=C2)O)OC)/C(=O)C1=O
InChI
InChI=1S/C13H13NO4/c1-14-7-9(12(16)13(14)17)5-8-3-4-10(15)11(6-8)18-2/h3-6,15H,7H2,1-2H3/b9-5+
InChIKey
IRSSPCVUYLQFJE-WEVVVXLNSA-N
Compound name
(4E)-4-[(4-hydroxy-3-methoxyphenyl)methylidene]-1-methylpyrrolidine-2,3-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

5
References

1
Patents

247.08446 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.09174 155.4
[M+Na]+ 270.07368 167.0
[M+NH4]+ 265.11828 161.5
[M+K]+ 286.04762 163.6
[M-H]- 246.07718 156.3
[M+Na-2H]- 268.05913 159.2
[M]+ 247.08391 156.9
[M]- 247.08501 156.9
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.