CID 85397583

Methyl 2-(2-oxo-4-phenylimidazolidin-1-yl)acetate

Structural Information

Molecular Formula
C12H14N2O3
SMILES
COC(=O)CN1CC(NC1=O)C2=CC=CC=C2
InChI
InChI=1S/C12H14N2O3/c1-17-11(15)8-14-7-10(13-12(14)16)9-5-3-2-4-6-9/h2-6,10H,7-8H2,1H3,(H,13,16)
InChIKey
XWIYBBCVNVQBJP-UHFFFAOYSA-N
Compound name
methyl 2-(2-oxo-4-phenylimidazolidin-1-yl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.10045 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.107726 152.0
[M+Na]+ 257.089668 158.9
[M-H]- 233.093174 154.6
[M+NH4]+ 252.134273 168.0
[M+K]+ 273.063608 155.9
[M+H-H2O]+ 217.097710 144.1
[M+HCOO]- 279.098651 170.9
[M+CH3COO]- 293.114301 186.4
[M+Na-2H]- 255.075116 153.6
[M]+ 234.09990142 150.4
[M]- 234.10099858 150.4
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.