CID 3008508

1-[8-amino-5-(cyclopentoxy)-4-ethyl-6-quinolyl]ethanone

Structural Information

Molecular Formula
C18H22N2O2
SMILES
CCC1=C2C(=C(C=C(C2=NC=C1)N)C(=O)C)OC3CCCC3
InChI
InChI=1S/C18H22N2O2/c1-3-12-8-9-20-17-15(19)10-14(11(2)21)18(16(12)17)22-13-6-4-5-7-13/h8-10,13H,3-7,19H2,1-2H3
InChIKey
JOBMCJMZNJAJOS-UHFFFAOYSA-N
Compound name
1-(8-amino-5-cyclopentyloxy-4-ethylquinolin-6-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

298.16812 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.17540 171.7
[M+Na]+ 321.15734 178.4
[M-H]- 297.16084 177.4
[M+NH4]+ 316.20194 188.0
[M+K]+ 337.13128 173.9
[M+H-H2O]+ 281.16538 163.6
[M+HCOO]- 343.16632 191.0
[M+CH3COO]- 357.18197 208.0
[M+Na-2H]- 319.14279 171.5
[M]+ 298.16757 170.8
[M]- 298.16867 170.8
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.