CID 41373

55251-14-4

Structural Information

Molecular Formula
C14H16N2O4
SMILES
CCC1(C(=O)N(C(=O)N1)COC(=O)C)C2=CC=CC=C2
InChI
InChI=1S/C14H16N2O4/c1-3-14(11-7-5-4-6-8-11)12(18)16(13(19)15-14)9-20-10(2)17/h4-8H,3,9H2,1-2H3,(H,15,19)
InChIKey
BKCKGCIFWHFWDL-UHFFFAOYSA-N
Compound name
(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)methyl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

276.111 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.118276 160.8
[M+Na]+ 299.100218 168.9
[M-H]- 275.103724 163.9
[M+NH4]+ 294.144823 177.3
[M+K]+ 315.074158 165.7
[M+H-H2O]+ 259.108260 153.7
[M+HCOO]- 321.109201 179.4
[M+CH3COO]- 335.124851 194.5
[M+Na-2H]- 297.085666 162.2
[M]+ 276.11045142 161.5
[M]- 276.11154858 161.5
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.