CID 3002908

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

Structural Information

Molecular Formula
C24H31NO2
SMILES
COC(=O)CC1=CC(=NC2=C1C=CC=C2C3CCCCC3)C4CCCCC4
InChI
InChI=1S/C24H31NO2/c1-27-23(26)16-19-15-22(18-11-6-3-7-12-18)25-24-20(13-8-14-21(19)24)17-9-4-2-5-10-17/h8,13-15,17-18H,2-7,9-12,16H2,1H3
InChIKey
FNXQWSPNTCMLNC-UHFFFAOYSA-N
Compound name
methyl 2-(2,8-dicyclohexylquinolin-4-yl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

365.23547 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.24275 191.8
[M+Na]+ 388.22469 192.9
[M-H]- 364.22819 198.2
[M+NH4]+ 383.26929 202.5
[M+K]+ 404.19863 187.5
[M+H-H2O]+ 348.23273 180.5
[M+HCOO]- 410.23367 203.1
[M+CH3COO]- 424.24932 198.6
[M+Na-2H]- 386.21014 190.3
[M]+ 365.23492 184.4
[M]- 365.23602 184.4
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.