CID 15956254

Ethyl 2-(2,5-dicyclohexyl-4-quinolyl)acetate

Structural Information

Molecular Formula
C25H33NO2
SMILES
CCOC(=O)CC1=CC(=NC2=CC=CC(=C21)C3CCCCC3)C4CCCCC4
InChI
InChI=1S/C25H33NO2/c1-2-28-24(27)17-20-16-23(19-12-7-4-8-13-19)26-22-15-9-14-21(25(20)22)18-10-5-3-6-11-18/h9,14-16,18-19H,2-8,10-13,17H2,1H3
InChIKey
FZHLACYHDPDRHR-UHFFFAOYSA-N
Compound name
ethyl 2-(2,5-dicyclohexylquinolin-4-yl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

379.25113 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.25841 196.2
[M+Na]+ 402.24035 196.8
[M-H]- 378.24385 202.3
[M+NH4]+ 397.28495 206.3
[M+K]+ 418.21429 191.2
[M+H-H2O]+ 362.24839 184.6
[M+HCOO]- 424.24933 207.1
[M+CH3COO]- 438.26498 202.5
[M+Na-2H]- 400.22580 194.2
[M]+ 379.25058 189.1
[M]- 379.25168 189.1
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.