CID 3698

Amrinone

Structural Information

Molecular Formula

C₁₀H₉N₃O

SMILES

C1=CN=CC=C1C2=CNC(=O)C(=C2)N

InChI

InChI=1S/C10H9N3O/c11-9-5-8(6-13-10(9)14)7-1-3-12-4-2-7/h1-6H,11H2,(H,13,14)

InChIKey

RNLQIBCLLYYYFJ-UHFFFAOYSA-N

Compound name

3-amino-5-pyridin-4-yl-1H-pyridin-2-one

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 904
References: 14076
Patents: 187.07455 Da
Monoisotopic Mass: -0.2
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]+	188.08183	138.5
[M+Na]+	210.06377	153.1
[M+NH4]+	205.10837	146.3
[M+K]+	226.03771	146.5
[M-H]-	186.06727	142.0
[M+Na-2H]-	208.04922	148.0
[M]+	187.07400	141.5
[M]-	187.07510	141.5

Literature stripe

literature stripe

Patent stripe

patents stripe