CID 53523

76614-52-3

Structural Information

Molecular Formula
C15H15F3N2O4
SMILES
CCOC(=O)CN1C(=O)C(NC1=O)CC2=CC(=CC=C2)C(F)(F)F
InChI
InChI=1S/C15H15F3N2O4/c1-2-24-12(21)8-20-13(22)11(19-14(20)23)7-9-4-3-5-10(6-9)15(16,17)18/h3-6,11H,2,7-8H2,1H3,(H,19,23)
InChIKey
JVFDGCGDQFBEBJ-UHFFFAOYSA-N
Compound name
ethyl 2-[2,5-dioxo-4-[[3-(trifluoromethyl)phenyl]methyl]imidazolidin-1-yl]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

344.0984 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.10568 174.9
[M+Na]+ 367.08762 182.9
[M-H]- 343.09112 173.9
[M+NH4]+ 362.13222 186.7
[M+K]+ 383.06156 178.4
[M+H-H2O]+ 327.09566 164.8
[M+HCOO]- 389.09660 188.2
[M+CH3COO]- 403.11225 207.1
[M+Na-2H]- 365.07307 173.0
[M]+ 344.09785 171.9
[M]- 344.09895 171.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.