CID 3765440

Nsc676703

Structural Information

Molecular Formula
C13H14N2O4
SMILES
COC(=O)C1CN(C(=O)N1)C(=O)CC2=CC=CC=C2
InChI
InChI=1S/C13H14N2O4/c1-19-12(17)10-8-15(13(18)14-10)11(16)7-9-5-3-2-4-6-9/h2-6,10H,7-8H2,1H3,(H,14,18)
InChIKey
CFQGDTYGTAPBQX-UHFFFAOYSA-N
Compound name
methyl 2-oxo-1-(2-phenylacetyl)imidazolidine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

262.09537 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.102646 158.2
[M+Na]+ 285.084588 164.6
[M-H]- 261.088094 160.9
[M+NH4]+ 280.129193 172.9
[M+K]+ 301.058528 161.9
[M+H-H2O]+ 245.092630 150.2
[M+HCOO]- 307.093571 176.2
[M+CH3COO]- 321.109221 191.0
[M+Na-2H]- 283.070036 158.2
[M]+ 262.09482142 157.0
[M]- 262.09591858 157.0
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.