CID 2165

Amodiaquine

Structural Information

Molecular Formula

C₂₀H₂₂ClN₃O

SMILES

CCN(CC)CC1=C(C=CC(=C1)NC2=C3C=CC(=CC3=NC=C2)Cl)O

InChI

InChI=1S/C20H22ClN3O/c1-3-24(4-2)13-14-11-16(6-8-20(14)25)23-18-9-10-22-19-12-15(21)5-7-17(18)19/h5-12,25H,3-4,13H2,1-2H3,(H,22,23)

InChIKey

OVCDSSHSILBFBN-UHFFFAOYSA-N

Compound name

4-[(7-chloroquinolin-4-yl)amino]-2-(diethylaminomethyl)phenol

Related CIDs

2D Structure

compound 2d structure

8
Annotation Hits: 2287
References: 10141
Patents: 355.14514 Da
Monoisotopic Mass: 2.6
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]+	356.15242	185.8
[M+Na]+	378.13436	201.3
[M+NH4]+	373.17896	194.5
[M+K]+	394.10830	191.6
[M-H]-	354.13786	192.1
[M+Na-2H]-	376.11981	194.5
[M]+	355.14459	190.3
[M]-	355.14569	190.3

Literature stripe

literature stripe

Patent stripe

patents stripe