CID 3002910

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

Structural Information

Molecular Formula
C22H27NO2
SMILES
COC(=O)CC1=CC(=NC2=C1C=CC=C2C3CCCC3)C4CCCC4
InChI
InChI=1S/C22H27NO2/c1-25-21(24)14-17-13-20(16-9-4-5-10-16)23-22-18(11-6-12-19(17)22)15-7-2-3-8-15/h6,11-13,15-16H,2-5,7-10,14H2,1H3
InChIKey
CAXNPYCQIPEVJE-UHFFFAOYSA-N
Compound name
methyl 2-(2,8-dicyclopentylquinolin-4-yl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

337.2042 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.21148 184.4
[M+Na]+ 360.19342 188.4
[M-H]- 336.19692 192.8
[M+NH4]+ 355.23802 200.6
[M+K]+ 376.16736 183.5
[M+H-H2O]+ 320.20146 175.8
[M+HCOO]- 382.20240 201.3
[M+CH3COO]- 396.21805 193.9
[M+Na-2H]- 358.17887 180.4
[M]+ 337.20365 181.3
[M]- 337.20475 181.3
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.