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]+ 263.10265 158.2
[M+Na]+ 285.08459 164.6
[M-H]- 261.08809 160.9
[M+NH4]+ 280.12919 172.9
[M+K]+ 301.05853 161.9
[M+H-H2O]+ 245.09263 150.2
[M+HCOO]- 307.09357 176.2
[M+CH3COO]- 321.10922 191.0
[M+Na-2H]- 283.07004 158.2
[M]+ 262.09482 157.0
[M]- 262.09592 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.