CID 135516690

5-hydroxyprimaquine

Structural Information

Molecular Formula
C15H21N3O2
SMILES
CC(CCCN)NC1=CC(=C(C2=C1N=CC=C2)O)OC
InChI
InChI=1S/C15H21N3O2/c1-10(5-3-7-16)18-12-9-13(20-2)15(19)11-6-4-8-17-14(11)12/h4,6,8-10,18-19H,3,5,7,16H2,1-2H3
InChIKey
DCIFAKQLYKKQAG-UHFFFAOYSA-N
Compound name
8-(5-aminopentan-2-ylamino)-6-methoxyquinolin-5-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

6
Patents

275.1634 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.17068 164.8
[M+Na]+ 298.15262 171.2
[M-H]- 274.15612 166.1
[M+NH4]+ 293.19722 179.5
[M+K]+ 314.12656 167.4
[M+H-H2O]+ 258.16066 156.9
[M+HCOO]- 320.16160 185.2
[M+CH3COO]- 334.17725 204.9
[M+Na-2H]- 296.13807 169.1
[M]+ 275.16285 165.2
[M]- 275.16395 165.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe