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]+ 287.10265 162.7
[M+Na]+ 309.08459 171.9
[M-H]- 285.08809 170.9
[M+NH4]+ 304.12919 179.3
[M+K]+ 325.05853 168.2
[M+H-H2O]+ 269.09263 155.3
[M+HCOO]- 331.09357 182.8
[M+CH3COO]- 345.10922 200.1
[M+Na-2H]- 307.07004 159.4
[M]+ 286.09482 161.9
[M]- 286.09592 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.