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
2
Annotation Hits

92
References

1319
Patents

315.23105 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.238326 180.0
[M+Na]+ 338.220268 184.3
[M-H]- 314.223774 183.4
[M+NH4]+ 333.264873 194.4
[M+K]+ 354.194208 181.4
[M+H-H2O]+ 298.228310 170.7
[M+HCOO]- 360.229251 201.4
[M+CH3COO]- 374.244901 219.8
[M+Na-2H]- 336.205716 183.5
[M]+ 315.23050142 184.0
[M]- 315.23159858 184.0
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