CID 15954082

4-ethyl-5-heptoxy-6-methoxy-quinolin-8-amine

Structural Information

Molecular Formula
C19H28N2O2
SMILES
CCCCCCCOC1=C(C=C(C2=NC=CC(=C12)CC)N)OC
InChI
InChI=1S/C19H28N2O2/c1-4-6-7-8-9-12-23-19-16(22-3)13-15(20)18-17(19)14(5-2)10-11-21-18/h10-11,13H,4-9,12,20H2,1-3H3
InChIKey
LBPJAFOYIZBLCY-UHFFFAOYSA-N
Compound name
4-ethyl-5-heptoxy-6-methoxyquinolin-8-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

316.2151 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.222376 179.7
[M+Na]+ 339.204318 186.9
[M-H]- 315.207824 182.0
[M+NH4]+ 334.248923 194.2
[M+K]+ 355.178258 182.4
[M+H-H2O]+ 299.212360 171.2
[M+HCOO]- 361.213301 200.2
[M+CH3COO]- 375.228951 214.4
[M+Na-2H]- 337.189766 182.2
[M]+ 316.21455142 185.1
[M]- 316.21564858 185.1
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

No patent data available for this compound.