CID 1090306

Chembl2325744

Structural Information

Molecular Formula

C₁₉H₂₀N₄O

SMILES

C1CN(CCN1CC2=C3C=CC=NC3=C(C=C2)O)C4=CC=CC=N4

InChI

InChI=1S/C19H20N4O/c24-17-7-6-15(16-4-3-9-21-19(16)17)14-22-10-12-23(13-11-22)18-5-1-2-8-20-18/h1-9,24H,10-14H2

InChIKey

UPUZGHCRYUIOSV-UHFFFAOYSA-N

Compound name

5-[(4-pyridin-2-ylpiperazin-1-yl)methyl]quinolin-8-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 2
Patents: 320.1637 Da
Monoisotopic Mass: 2.5
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]+	321.17098	179.3
[M+Na]+	343.15292	185.4
[M-H]-	319.15642	182.0
[M+NH4]+	338.19752	187.3
[M+K]+	359.12686	177.9
[M+H-H2O]+	303.16096	166.4
[M+HCOO]-	365.16190	191.5
[M+CH3COO]-	379.17755	186.9
[M+Na-2H]-	341.13837	184.3
[M]+	320.16315	174.2
[M]-	320.16425	174.2

Literature stripe

literature stripe

Patent stripe

patents stripe