CID 3008512

1-(8-amino-4-ethyl-5-octoxy-6-quinolyl)ethanone

Structural Information

Molecular Formula
C21H30N2O2
SMILES
CCCCCCCCOC1=C(C=C(C2=NC=CC(=C12)CC)N)C(=O)C
InChI
InChI=1S/C21H30N2O2/c1-4-6-7-8-9-10-13-25-21-17(15(3)24)14-18(22)20-19(21)16(5-2)11-12-23-20/h11-12,14H,4-10,13,22H2,1-3H3
InChIKey
UDTYTFCLVUVHGT-UHFFFAOYSA-N
Compound name
1-(8-amino-4-ethyl-5-octoxyquinolin-6-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

342.23074 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.23802 187.9
[M+Na]+ 365.21996 194.1
[M-H]- 341.22346 189.9
[M+NH4]+ 360.26456 201.1
[M+K]+ 381.19390 189.2
[M+H-H2O]+ 325.22800 179.2
[M+HCOO]- 387.22894 206.8
[M+CH3COO]- 401.24459 220.5
[M+Na-2H]- 363.20541 188.2
[M]+ 342.23019 192.6
[M]- 342.23129 192.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.