CID 8641

Amphenidone

Structural Information

Molecular Formula

C₁₁H₁₀N₂O

SMILES

C1=CC(=O)N(C=C1)C2=CC=CC(=C2)N

InChI

InChI=1S/C11H10N2O/c12-9-4-3-5-10(8-9)13-7-2-1-6-11(13)14/h1-8H,12H2

InChIKey

ZVSGUZQJNXHNIL-UHFFFAOYSA-N

Compound name

1-(3-aminophenyl)pyridin-2-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 662
Patents: 186.07932 Da
Monoisotopic Mass: 1.3
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]+	187.08660	137.5
[M+Na]+	209.06854	146.8
[M-H]-	185.07204	143.1
[M+NH4]+	204.11314	155.5
[M+K]+	225.04248	142.9
[M+H-H2O]+	169.07658	129.9
[M+HCOO]-	231.07752	162.5
[M+CH3COO]-	245.09317	183.3
[M+Na-2H]-	207.05399	145.2
[M]+	186.07877	135.9
[M]-	186.07987	135.9

Literature stripe

literature stripe

Patent stripe

patents stripe