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

Adduct m/z Predicted CCS (Ų)
[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
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.