CID 3008509

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

Structural Information

Molecular Formula
C18H24N2O2
SMILES
CCCCCOC1=C(C=C(C2=NC=CC(=C12)CC)N)C(=O)C
InChI
InChI=1S/C18H24N2O2/c1-4-6-7-10-22-18-14(12(3)21)11-15(19)17-16(18)13(5-2)8-9-20-17/h8-9,11H,4-7,10,19H2,1-3H3
InChIKey
ZLGIPEPNTKLBCJ-UHFFFAOYSA-N
Compound name
1-(8-amino-4-ethyl-5-pentoxyquinolin-6-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

300.18378 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.19106 174.2
[M+Na]+ 323.17300 181.8
[M-H]- 299.17650 176.8
[M+NH4]+ 318.21760 189.2
[M+K]+ 339.14694 177.5
[M+H-H2O]+ 283.18104 166.1
[M+HCOO]- 345.18198 194.2
[M+CH3COO]- 359.19763 211.6
[M+Na-2H]- 321.15845 176.1
[M]+ 300.18323 177.9
[M]- 300.18433 177.9
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.