CID 71756093

Methyl 3-(2,4-dioxoimidazolidin-1-yl)benzoate

Structural Information

Molecular Formula
C11H10N2O4
SMILES
COC(=O)C1=CC(=CC=C1)N2CC(=O)NC2=O
InChI
InChI=1S/C11H10N2O4/c1-17-10(15)7-3-2-4-8(5-7)13-6-9(14)12-11(13)16/h2-5H,6H2,1H3,(H,12,14,16)
InChIKey
DRBFQCUKWOOBOL-UHFFFAOYSA-N
Compound name
methyl 3-(2,4-dioxoimidazolidin-1-yl)benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.06406 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.071336 148.7
[M+Na]+ 257.053278 157.1
[M-H]- 233.056784 151.9
[M+NH4]+ 252.097883 164.8
[M+K]+ 273.027218 154.3
[M+H-H2O]+ 217.061320 141.2
[M+HCOO]- 279.062261 168.2
[M+CH3COO]- 293.077911 186.0
[M+Na-2H]- 255.038726 150.2
[M]+ 234.06351142 147.9
[M]- 234.06460858 147.9
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.