CID 3002909

Methyl 2-(2-cyclohexyl-4-quinolyl)acetate

Structural Information

Molecular Formula
C18H21NO2
SMILES
COC(=O)CC1=CC(=NC2=CC=CC=C21)C3CCCCC3
InChI
InChI=1S/C18H21NO2/c1-21-18(20)12-14-11-17(13-7-3-2-4-8-13)19-16-10-6-5-9-15(14)16/h5-6,9-11,13H,2-4,7-8,12H2,1H3
InChIKey
OUYJSBOVVWAXOG-UHFFFAOYSA-N
Compound name
methyl 2-(2-cyclohexylquinolin-4-yl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

283.15723 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.16451 167.3
[M+Na]+ 306.14645 172.1
[M-H]- 282.14995 172.2
[M+NH4]+ 301.19105 182.2
[M+K]+ 322.12039 168.0
[M+H-H2O]+ 266.15449 158.1
[M+HCOO]- 328.15543 183.9
[M+CH3COO]- 342.17108 201.1
[M+Na-2H]- 304.13190 170.6
[M]+ 283.15668 164.7
[M]- 283.15778 164.7
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.