CID 101592230

Phenytoin arene-oxide

Structural Information

Molecular Formula
C15H12N2O3
SMILES
C1=CC=C(C=C1)C2(C(=O)NC(=O)N2)C3=CC4C(O4)C=C3
InChI
InChI=1S/C15H12N2O3/c18-13-15(17-14(19)16-13,9-4-2-1-3-5-9)10-6-7-11-12(8-10)20-11/h1-8,11-12H,(H2,16,17,18,19)
InChIKey
WBRFFCOFWKCXFD-UHFFFAOYSA-N
Compound name
5-(7-oxabicyclo[4.1.0]hepta-2,4-dien-3-yl)-5-phenylimidazolidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

268.08478 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.09206 164.6
[M+Na]+ 291.07400 179.3
[M+NH4]+ 286.11860 173.9
[M+K]+ 307.04794 174.3
[M-H]- 267.07750 176.0
[M+Na-2H]- 289.05945 173.9
[M]+ 268.08423 171.2
[M]- 268.08533 171.2
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.