CID 3652

Hydroxychloroquine

Structural Information

Molecular Formula

C₁₈H₂₆ClN₃O

SMILES

CCN(CCCC(C)NC1=C2C=CC(=CC2=NC=C1)Cl)CCO

InChI

InChI=1S/C18H26ClN3O/c1-3-22(11-12-23)10-4-5-14(2)21-17-8-9-20-18-13-15(19)6-7-16(17)18/h6-9,13-14,23H,3-5,10-12H2,1-2H3,(H,20,21)

InChIKey

XXSMGPRMXLTPCZ-UHFFFAOYSA-N

Compound name

2-[4-[(7-chloroquinolin-4-yl)amino]pentyl-ethylamino]ethanol

Related CIDs

2D Structure

compound 2d structure

7
Annotation Hits: 7277
References: 65043
Patents: 335.17645 Da
Monoisotopic Mass: 3.6
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]+	336.18373	181.4
[M+Na]+	358.16567	186.5
[M-H]-	334.16917	183.4
[M+NH4]+	353.21027	195.2
[M+K]+	374.13961	181.3
[M+H-H2O]+	318.17371	173.4
[M+HCOO]-	380.17465	197.2
[M+CH3COO]-	394.19030	217.9
[M+Na-2H]-	356.15112	184.6
[M]+	335.17590	185.5
[M]-	335.17700	185.5

Literature stripe

literature stripe

Patent stripe

patents stripe