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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	249.086986	153.7
[M+Na]+	271.068928	160.5
[M-H]-	247.072434	156.5
[M+NH4]+	266.113533	168.9
[M+K]+	287.042868	158.1
[M+H-H2O]+	231.076970	145.9
[M+HCOO]-	293.077911	172.0
[M+CH3COO]-	307.093561	188.0
[M+Na-2H]-	269.054376	154.2
[M]+	248.07916142	152.2
[M]-	248.08025858	152.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.