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 166.7
[M+Na]+ 323.10022 176.3
[M-H]- 299.10372 175.1
[M+NH4]+ 318.14482 183.0
[M+K]+ 339.07416 172.4
[M+H-H2O]+ 283.10826 159.5
[M+HCOO]- 345.10920 186.4
[M+CH3COO]- 359.12485 204.4
[M+Na-2H]- 321.08567 162.3
[M]+ 300.11045 166.6
[M]- 300.11155 166.6
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.