CID 50585

69557-08-0

Structural Information

Molecular Formula
C16H16N2O4
SMILES
CC1=C(C(=CC=C1)C)N2C(=O)CC(C2=O)N3C(=O)CCC3=O
InChI
InChI=1S/C16H16N2O4/c1-9-4-3-5-10(2)15(9)18-14(21)8-11(16(18)22)17-12(19)6-7-13(17)20/h3-5,11H,6-8H2,1-2H3
InChIKey
SBPCUFGPXAFYEI-UHFFFAOYSA-N
Compound name
1-(2,6-dimethylphenyl)-3-(2,5-dioxopyrrolidin-1-yl)pyrrolidine-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

300.111 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.11828 170.3
[M+Na]+ 323.10022 181.3
[M+NH4]+ 318.14482 175.8
[M+K]+ 339.07416 180.0
[M-H]- 299.10372 172.3
[M+Na-2H]- 321.08567 173.5
[M]+ 300.11045 172.0
[M]- 300.11155 172.0
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.