CID 1775

Phenytoin

Structural Information

Molecular Formula

C₁₅H₁₂N₂O₂

SMILES

C1=CC=C(C=C1)C2(C(=O)NC(=O)N2)C3=CC=CC=C3

InChI

InChI=1S/C15H12N2O2/c18-13-15(17-14(19)16-13,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H,(H2,16,17,18,19)

InChIKey

CXOFVDLJLONNDW-UHFFFAOYSA-N

Compound name

5,5-diphenylimidazolidine-2,4-dione

Related CIDs

2D Structure

compound 2d structure

8
Annotation Hits: 16873
References: 78187
Patents: 252.08987 Da
Monoisotopic Mass: 2.5
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]+	253.09715	158.1
[M+Na]+	275.07909	171.4
[M+NH4]+	270.12369	166.8
[M+K]+	291.05303	164.4
[M-H]-	251.08259	161.6
[M+Na-2H]-	273.06454	167.8
[M]+	252.08932	161.0
[M]-	252.09042	161.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe