CID 168707

3-(acetoxymethyl)-5,5-diphenylhydantoin

Structural Information

Molecular Formula
C18H16N2O4
SMILES
CC(=O)OCN1C(=O)C(NC1=O)(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C18H16N2O4/c1-13(21)24-12-20-16(22)18(19-17(20)23,14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-11H,12H2,1H3,(H,19,23)
InChIKey
FBFCVJNZKBVVRP-UHFFFAOYSA-N
Compound name
(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)methyl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

324.111 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.11828 174.1
[M+Na]+ 347.10022 181.6
[M-H]- 323.10372 180.3
[M+NH4]+ 342.14482 187.9
[M+K]+ 363.07416 177.0
[M+H-H2O]+ 307.10826 165.0
[M+HCOO]- 369.10920 192.7
[M+CH3COO]- 383.12485 202.5
[M+Na-2H]- 345.08567 175.4
[M]+ 324.11045 173.5
[M]- 324.11155 173.5
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

patents stripe