CID 131769980

Phenytoin quinone

Structural Information

Molecular Formula

C₁₅H₁₀N₂O₄

SMILES

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

InChI

InChI=1S/C15H10N2O4/c18-11-7-6-10(8-12(11)19)15(9-4-2-1-3-5-9)13(20)16-14(21)17-15/h1-8H,(H2,16,17,20,21)

InChIKey

AWCFFJFKIPSEFH-UHFFFAOYSA-N

Compound name

5-(3,4-dioxocyclohexa-1,5-dien-1-yl)-5-phenylimidazolidine-2,4-dione

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 0
Patents: 282.06406 Da
Monoisotopic Mass: 0.1
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]+	283.071336	161.7
[M+Na]+	305.053278	170.6
[M-H]-	281.056784	166.9
[M+NH4]+	300.097883	176.7
[M+K]+	321.027218	164.8
[M+H-H2O]+	265.061320	153.7
[M+HCOO]-	327.062261	179.5
[M+CH3COO]-	341.077911	192.0
[M+Na-2H]-	303.038726	163.6
[M]+	282.06351142	157.3
[M]-	282.06460858	157.3

Literature stripe

literature stripe

Patent stripe

patents stripe