CID 135457941

5-hydroxy-6-desmethylprimaquine

Structural Information

Molecular Formula

C₁₄H₁₉N₃O₂

SMILES

CC(CCCN)NC1=CC(=C(C2=C1N=CC=C2)O)O

InChI

InChI=1S/C14H19N3O2/c1-9(4-2-6-15)17-11-8-12(18)14(19)10-5-3-7-16-13(10)11/h3,5,7-9,17-19H,2,4,6,15H2,1H3

InChIKey

ZMJYZSVQMSPCFV-UHFFFAOYSA-N

Compound name

8-(5-aminopentan-2-ylamino)quinoline-5,6-diol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 4
References: 3
Patents: 261.14774 Da
Monoisotopic Mass: 1.7
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]+	262.15502	160.3
[M+Na]+	284.13696	166.7
[M-H]-	260.14046	160.4
[M+NH4]+	279.18156	174.9
[M+K]+	300.11090	162.3
[M+H-H2O]+	244.14500	153.0
[M+HCOO]-	306.14594	179.5
[M+CH3COO]-	320.16159	199.7
[M+Na-2H]-	282.12241	164.7
[M]+	261.14719	158.6
[M]-	261.14829	158.6

Literature stripe

literature stripe

Patent stripe

patents stripe