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]+ 277.11828 160.8
[M+Na]+ 299.10022 168.9
[M-H]- 275.10372 163.9
[M+NH4]+ 294.14482 177.3
[M+K]+ 315.07416 165.7
[M+H-H2O]+ 259.10826 153.7
[M+HCOO]- 321.10920 179.4
[M+CH3COO]- 335.12485 194.5
[M+Na-2H]- 297.08567 162.2
[M]+ 276.11045 161.5
[M]- 276.11155 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.