CID 3002922

Ethyl 2-(2,8-dicyclopentyl-4-quinolyl)acetate

Structural Information

Molecular Formula
C23H29NO2
SMILES
CCOC(=O)CC1=CC(=NC2=C1C=CC=C2C3CCCC3)C4CCCC4
InChI
InChI=1S/C23H29NO2/c1-2-26-22(25)15-18-14-21(17-10-5-6-11-17)24-23-19(12-7-13-20(18)23)16-8-3-4-9-16/h7,12-14,16-17H,2-6,8-11,15H2,1H3
InChIKey
LIXDHVQKLACOLP-UHFFFAOYSA-N
Compound name
ethyl 2-(2,8-dicyclopentylquinolin-4-yl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

351.21982 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.22710 189.0
[M+Na]+ 374.20904 192.5
[M-H]- 350.21254 197.1
[M+NH4]+ 369.25364 204.5
[M+K]+ 390.18298 187.3
[M+H-H2O]+ 334.21708 180.2
[M+HCOO]- 396.21802 205.4
[M+CH3COO]- 410.23367 198.0
[M+Na-2H]- 372.19449 184.4
[M]+ 351.21927 186.2
[M]- 351.22037 186.2
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.