CID 496018

Nsc676702

Structural Information

Molecular Formula
C12H12N2O4
SMILES
COC(=O)C1CN(C(=O)N1)C(=O)C2=CC=CC=C2
InChI
InChI=1S/C12H12N2O4/c1-18-11(16)9-7-14(12(17)13-9)10(15)8-5-3-2-4-6-8/h2-6,9H,7H2,1H3,(H,13,17)
InChIKey
CFMJVOSEWRJGEP-UHFFFAOYSA-N
Compound name
methyl 1-benzoyl-2-oxoimidazolidine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

248.07971 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.08699 153.7
[M+Na]+ 271.06893 160.5
[M-H]- 247.07243 156.5
[M+NH4]+ 266.11353 168.9
[M+K]+ 287.04287 158.1
[M+H-H2O]+ 231.07697 145.9
[M+HCOO]- 293.07791 172.0
[M+CH3COO]- 307.09356 188.0
[M+Na-2H]- 269.05438 154.2
[M]+ 248.07916 152.2
[M]- 248.08026 152.2
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.