CID 3008507

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

Structural Information

Molecular Formula
C17H22N2O2
SMILES
CCCCOC1=C(C=C(C2=NC=CC(=C12)CC)N)C(=O)C
InChI
InChI=1S/C17H22N2O2/c1-4-6-9-21-17-13(11(3)20)10-14(18)16-15(17)12(5-2)7-8-19-16/h7-8,10H,4-6,9,18H2,1-3H3
InChIKey
XZCFTWCBYAUCHR-UHFFFAOYSA-N
Compound name
1-(8-amino-5-butoxy-4-ethylquinolin-6-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

286.16812 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.17540 169.5
[M+Na]+ 309.15734 177.6
[M-H]- 285.16084 172.3
[M+NH4]+ 304.20194 185.1
[M+K]+ 325.13128 173.6
[M+H-H2O]+ 269.16538 161.7
[M+HCOO]- 331.16632 189.9
[M+CH3COO]- 345.18197 208.6
[M+Na-2H]- 307.14279 172.0
[M]+ 286.16757 172.9
[M]- 286.16867 172.9
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.