CID 496019

Nsc676704

Structural Information

Molecular Formula
C14H16N2O4
SMILES
COC(=O)C1CN(C(=O)N1)C(=O)CCC2=CC=CC=C2
InChI
InChI=1S/C14H16N2O4/c1-20-13(18)11-9-16(14(19)15-11)12(17)8-7-10-5-3-2-4-6-10/h2-6,11H,7-9H2,1H3,(H,15,19)
InChIKey
ZJVZAJZTMLOELN-UHFFFAOYSA-N
Compound name
methyl 2-oxo-1-(3-phenylpropanoyl)imidazolidine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

276.111 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.11828 162.8
[M+Na]+ 299.10022 168.7
[M-H]- 275.10372 165.2
[M+NH4]+ 294.14482 176.8
[M+K]+ 315.07416 165.8
[M+H-H2O]+ 259.10826 154.6
[M+HCOO]- 321.10920 180.3
[M+CH3COO]- 335.12485 194.0
[M+Na-2H]- 297.08567 162.2
[M]+ 276.11045 161.9
[M]- 276.11155 161.9
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

patents stripe