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

9
Annotation Hits: 16872
References: 80358
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]+	253.097146	156.8
[M+Na]+	275.079088	164.7
[M-H]-	251.082594	161.6
[M+NH4]+	270.123693	172.9
[M+K]+	291.053028	158.5
[M+H-H2O]+	235.087130	148.3
[M+HCOO]-	297.088071	175.4
[M+CH3COO]-	311.103721	167.9
[M+Na-2H]-	273.064536	160.8
[M]+	252.08932142	151.5
[M]-	252.09041858	151.5

Literature stripe

literature stripe

Patent stripe

patents stripe