CID 25194

Amopyroquine

Structural Information

Molecular Formula

C₂₀H₂₀ClN₃O

SMILES

C1CCN(C1)CC2=C(C=CC(=C2)NC3=C4C=CC(=CC4=NC=C3)Cl)O

InChI

InChI=1S/C20H20ClN3O/c21-15-3-5-17-18(7-8-22-19(17)12-15)23-16-4-6-20(25)14(11-16)13-24-9-1-2-10-24/h3-8,11-12,25H,1-2,9-10,13H2,(H,22,23)

InChIKey

YNWCUCSDUMVJKR-UHFFFAOYSA-N

Compound name

4-[(7-chloroquinolin-4-yl)amino]-2-(pyrrolidin-1-ylmethyl)phenol

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 18
References: 503
Patents: 353.1295 Da
Monoisotopic Mass: 2.4
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]+	354.136776	183.2
[M+Na]+	376.118718	190.8
[M-H]-	352.122224	189.5
[M+NH4]+	371.163323	195.9
[M+K]+	392.092658	182.5
[M+H-H2O]+	336.126760	173.3
[M+HCOO]-	398.127701	196.9
[M+CH3COO]-	412.143351	192.6
[M+Na-2H]-	374.104166	185.3
[M]+	353.12895142	182.2
[M]-	353.13004858	182.2

Literature stripe

literature stripe

Patent stripe

patents stripe