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]+ 317.22238 179.7
[M+Na]+ 339.20432 186.9
[M-H]- 315.20782 182.0
[M+NH4]+ 334.24892 194.2
[M+K]+ 355.17826 182.4
[M+H-H2O]+ 299.21236 171.2
[M+HCOO]- 361.21330 200.2
[M+CH3COO]- 375.22895 214.4
[M+Na-2H]- 337.18977 182.2
[M]+ 316.21455 185.1
[M]- 316.21565 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.