CID 15956255

Ethyl 2-(8-cyclopentyl-4-quinolyl)acetate

Structural Information

Molecular Formula
C18H21NO2
SMILES
CCOC(=O)CC1=C2C=CC=C(C2=NC=C1)C3CCCC3
InChI
InChI=1S/C18H21NO2/c1-2-21-17(20)12-14-10-11-19-18-15(8-5-9-16(14)18)13-6-3-4-7-13/h5,8-11,13H,2-4,6-7,12H2,1H3
InChIKey
PIHPAWPXGFTNQU-UHFFFAOYSA-N
Compound name
ethyl 2-(8-cyclopentylquinolin-4-yl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

283.15723 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.16451 168.2
[M+Na]+ 306.14645 174.0
[M-H]- 282.14995 173.7
[M+NH4]+ 301.19105 185.2
[M+K]+ 322.12039 169.8
[M+H-H2O]+ 266.15449 159.8
[M+HCOO]- 328.15543 187.2
[M+CH3COO]- 342.17108 200.5
[M+Na-2H]- 304.13190 169.7
[M]+ 283.15668 167.9
[M]- 283.15778 167.9
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.