CID 84572

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

Structural Information

Molecular Formula
C13H13NO4
SMILES
CN1CC(=CC2=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
InChIKey
IRSSPCVUYLQFJE-UHFFFAOYSA-N
Compound name
4-[(4-hydroxy-3-methoxyphenyl)methylidene]-1-methylpyrrolidine-2,3-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

5
References

2
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 152.1
[M+Na]+ 270.07368 161.8
[M-H]- 246.07718 157.1
[M+NH4]+ 265.11828 169.8
[M+K]+ 286.04762 158.3
[M+H-H2O]+ 230.08172 145.8
[M+HCOO]- 292.08266 173.3
[M+CH3COO]- 306.09831 190.8
[M+Na-2H]- 268.05913 152.6
[M]+ 247.08391 153.0
[M]- 247.08501 153.0
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

patents stripe