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]+ 279.09755 160.8
[M+Na]+ 301.07949 167.0
[M-H]- 277.08299 163.5
[M+NH4]+ 296.12409 174.8
[M+K]+ 317.05343 165.1
[M+H-H2O]+ 261.08753 152.7
[M+HCOO]- 323.08847 178.9
[M+CH3COO]- 337.10412 192.5
[M+Na-2H]- 299.06494 161.0
[M]+ 278.08972 161.0
[M]- 278.09082 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.