CID 3008511

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

Structural Information

Molecular Formula
C20H28N2O2
SMILES
CCCCCCCOC1=C(C=C(C2=NC=CC(=C12)CC)N)C(=O)C
InChI
InChI=1S/C20H28N2O2/c1-4-6-7-8-9-12-24-20-16(14(3)23)13-17(21)19-18(20)15(5-2)10-11-22-19/h10-11,13H,4-9,12,21H2,1-3H3
InChIKey
VSRRMMFROLYGFT-UHFFFAOYSA-N
Compound name
1-(8-amino-4-ethyl-5-heptoxyquinolin-6-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

328.2151 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.22238 183.4
[M+Na]+ 351.20432 190.0
[M-H]- 327.20782 185.5
[M+NH4]+ 346.24892 197.2
[M+K]+ 367.17826 185.3
[M+H-H2O]+ 311.21236 174.9
[M+HCOO]- 373.21330 202.6
[M+CH3COO]- 387.22895 217.5
[M+Na-2H]- 349.18977 184.1
[M]+ 328.21455 187.7
[M]- 328.21565 187.7
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.