CID 50584

69557-05-7

Structural Information

Molecular Formula
C15H14N2O4
SMILES
CC1=CC(=CC=C1)N2C(=O)CC(C2=O)N3C(=O)CCC3=O
InChI
InChI=1S/C15H14N2O4/c1-9-3-2-4-10(7-9)16-14(20)8-11(15(16)21)17-12(18)5-6-13(17)19/h2-4,7,11H,5-6,8H2,1H3
InChIKey
KYUYSEIADZBYNW-UHFFFAOYSA-N
Compound name
3-(2,5-dioxopyrrolidin-1-yl)-1-(3-methylphenyl)pyrrolidine-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.09537 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.102646 162.7
[M+Na]+ 309.084588 171.9
[M-H]- 285.088094 170.9
[M+NH4]+ 304.129193 179.3
[M+K]+ 325.058528 168.2
[M+H-H2O]+ 269.092630 155.3
[M+HCOO]- 331.093571 182.8
[M+CH3COO]- 345.109221 200.1
[M+Na-2H]- 307.070036 159.4
[M]+ 286.09482142 161.9
[M]- 286.09591858 161.9
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.