CID 122068

Desethylamodiaquine

Structural Information

Molecular Formula

C₁₈H₁₈ClN₃O

SMILES

CCNCC1=C(C=CC(=C1)NC2=C3C=CC(=CC3=NC=C2)Cl)O

InChI

InChI=1S/C18H18ClN3O/c1-2-20-11-12-9-14(4-6-18(12)23)22-16-7-8-21-17-10-13(19)3-5-15(16)17/h3-10,20,23H,2,11H2,1H3,(H,21,22)

InChIKey

VRXFDHAGFYWGHT-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 108
References: 183
Patents: 327.11383 Da
Monoisotopic Mass: 2.3
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]+	328.12111	176.9
[M+Na]+	350.10305	192.6
[M+NH4]+	345.14765	185.6
[M+K]+	366.07699	182.9
[M-H]-	326.10655	183.0
[M+Na-2H]-	348.08850	185.9
[M]+	327.11328	181.3
[M]-	327.11438	181.3

Literature stripe

literature stripe

Patent stripe

patents stripe