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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	269.092056	162.2
[M+Na]+	291.073998	172.9
[M-H]-	267.077504	169.1
[M+NH4]+	286.118603	173.0
[M+K]+	307.047938	167.8
[M+H-H2O]+	251.082040	155.0
[M+HCOO]-	313.082981	178.3
[M+CH3COO]-	327.098631	173.2
[M+Na-2H]-	289.059446	166.6
[M]+	268.08423142	162.1
[M]-	268.08532858	162.1

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.