CID 10290

Pamaquine

Structural Information

Molecular Formula

C₁₉H₂₉N₃O

SMILES

CCN(CC)CCCC(C)NC1=C2C(=CC(=C1)OC)C=CC=N2

InChI

InChI=1S/C19H29N3O/c1-5-22(6-2)12-8-9-15(3)21-18-14-17(23-4)13-16-10-7-11-20-19(16)18/h7,10-11,13-15,21H,5-6,8-9,12H2,1-4H3

InChIKey

QTQWMSOQOSJFBV-UHFFFAOYSA-N

Compound name

1-N,1-N-diethyl-4-N-(6-methoxyquinolin-8-yl)pentane-1,4-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 92
References: 1318
Patents: 315.23105 Da
Monoisotopic Mass: 4.1
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]+	316.23833	180.0
[M+Na]+	338.22027	184.3
[M-H]-	314.22377	183.4
[M+NH4]+	333.26487	194.4
[M+K]+	354.19421	181.4
[M+H-H2O]+	298.22831	170.7
[M+HCOO]-	360.22925	201.4
[M+CH3COO]-	374.24490	219.8
[M+Na-2H]-	336.20572	183.5
[M]+	315.23050	184.0
[M]-	315.23160	184.0

Literature stripe

literature stripe

Patent stripe

patents stripe