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

7
Annotation Hits: 904
References: 14657
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	147.8
[M-H]-	186.06727	141.4
[M+NH4]+	205.10837	154.3
[M+K]+	226.03771	142.9
[M+H-H2O]+	170.07181	130.4
[M+HCOO]-	232.07275	160.9
[M+CH3COO]-	246.08840	151.1
[M+Na-2H]-	208.04922	146.3
[M]+	187.07400	135.1
[M]-	187.07510	135.1

Literature stripe

literature stripe

Patent stripe

patents stripe