CID 9924495

Perampanel

Structural Information

Molecular Formula

C₂₃H₁₅N₃O

SMILES

C1=CC=C(C=C1)N2C=C(C=C(C2=O)C3=CC=CC=C3C#N)C4=CC=CC=N4

InChI

InChI=1S/C23H15N3O/c24-15-17-8-4-5-11-20(17)21-14-18(22-12-6-7-13-25-22)16-26(23(21)27)19-9-2-1-3-10-19/h1-14,16H

InChIKey

PRMWGUBFXWROHD-UHFFFAOYSA-N

Compound name

2-(2-oxo-1-phenyl-5-pyridin-2-ylpyridin-3-yl)benzonitrile

Related CIDs

2D Structure

compound 2d structure

7
Annotation Hits: 619
References: 3423
Patents: 349.12152 Da
Monoisotopic Mass: 3.4
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]+	350.12880	190.5
[M+Na]+	372.11074	201.5
[M-H]-	348.11424	196.9
[M+NH4]+	367.15534	198.0
[M+K]+	388.08468	190.7
[M+H-H2O]+	332.11878	171.6
[M+HCOO]-	394.11972	207.1
[M+CH3COO]-	408.13537	198.3
[M+Na-2H]-	370.09619	193.6
[M]+	349.12097	184.0
[M]-	349.12207	184.0

Literature stripe

literature stripe

Patent stripe

patents stripe