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
3
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 162.2
[M+Na]+ 291.07400 172.9
[M-H]- 267.07750 169.1
[M+NH4]+ 286.11860 173.0
[M+K]+ 307.04794 167.8
[M+H-H2O]+ 251.08204 155.0
[M+HCOO]- 313.08298 178.3
[M+CH3COO]- 327.09863 173.2
[M+Na-2H]- 289.05945 166.6
[M]+ 268.08423 162.1
[M]- 268.08533 162.1
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.