CID 12769330

1-benzyl 4-methyl 2-oxoimidazolidine-1,4-dicarboxylate

Structural Information

Molecular Formula
C13H14N2O5
SMILES
COC(=O)C1CN(C(=O)N1)C(=O)OCC2=CC=CC=C2
InChI
InChI=1S/C13H14N2O5/c1-19-11(16)10-7-15(12(17)14-10)13(18)20-8-9-5-3-2-4-6-9/h2-6,10H,7-8H2,1H3,(H,14,17)
InChIKey
HGGFHNOZJFTXHU-UHFFFAOYSA-N
Compound name
1-O-benzyl 4-O-methyl 2-oxoimidazolidine-1,4-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

278.09027 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.097546 160.8
[M+Na]+ 301.079488 167.0
[M-H]- 277.082994 163.5
[M+NH4]+ 296.124093 174.8
[M+K]+ 317.053428 165.1
[M+H-H2O]+ 261.087530 152.7
[M+HCOO]- 323.088471 178.9
[M+CH3COO]- 337.104121 192.5
[M+Na-2H]- 299.064936 161.0
[M]+ 278.08972142 161.0
[M]- 278.09081858 161.0
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.