CID 15954080

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

Structural Information

Molecular Formula
C20H30N2O2
SMILES
CCCCCCCCOC1=C(C=C(C2=NC=CC(=C12)CC)N)OC
InChI
InChI=1S/C20H30N2O2/c1-4-6-7-8-9-10-13-24-20-17(23-3)14-16(21)19-18(20)15(5-2)11-12-22-19/h11-12,14H,4-10,13,21H2,1-3H3
InChIKey
DDWMFZJUUAYOTQ-UHFFFAOYSA-N
Compound name
4-ethyl-6-methoxy-5-octoxyquinolin-8-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

330.23074 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.23802 184.3
[M+Na]+ 353.21996 190.9
[M-H]- 329.22346 186.3
[M+NH4]+ 348.26456 198.2
[M+K]+ 369.19390 186.3
[M+H-H2O]+ 313.22800 175.5
[M+HCOO]- 375.22894 204.4
[M+CH3COO]- 389.24459 217.4
[M+Na-2H]- 351.20541 186.2
[M]+ 330.23019 190.0
[M]- 330.23129 190.0
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

No patent data available for this compound.