CID 4908

Primaquine

Structural Information

Molecular Formula
C15H21N3O
SMILES
CC(CCCN)NC1=C2C(=CC(=C1)OC)C=CC=N2
InChI
InChI=1S/C15H21N3O/c1-11(5-3-7-16)18-14-10-13(19-2)9-12-6-4-8-17-15(12)14/h4,6,8-11,18H,3,5,7,16H2,1-2H3
InChIKey
INDBQLZJXZLFIT-UHFFFAOYSA-N
Compound name
4-N-(6-methoxyquinolin-8-yl)pentane-1,4-diamine
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

2785
References

17407
Patents

259.16846 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.17574 161.3
[M+Na]+ 282.15768 167.4
[M-H]- 258.16118 163.6
[M+NH4]+ 277.20228 177.2
[M+K]+ 298.13162 163.7
[M+H-H2O]+ 242.16572 153.2
[M+HCOO]- 304.16666 183.1
[M+CH3COO]- 318.18231 203.9
[M+Na-2H]- 280.14313 166.8
[M]+ 259.16791 161.8
[M]- 259.16901 161.8
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