CID 459988

2,8-dicyclopentyl-4-methylquinoline

Structural Information

Molecular Formula
C20H25N
SMILES
CC1=CC(=NC2=C1C=CC=C2C3CCCC3)C4CCCC4
InChI
InChI=1S/C20H25N/c1-14-13-19(16-9-4-5-10-16)21-20-17(14)11-6-12-18(20)15-7-2-3-8-15/h6,11-13,15-16H,2-5,7-10H2,1H3
InChIKey
LVFXNIDNAPLSFY-UHFFFAOYSA-N
Compound name
2,8-dicyclopentyl-4-methylquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

2
Patents

279.1987 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.20598 169.4
[M+Na]+ 302.18792 174.7
[M-H]- 278.19142 178.0
[M+NH4]+ 297.23252 188.3
[M+K]+ 318.16186 169.0
[M+H-H2O]+ 262.19596 161.1
[M+HCOO]- 324.19690 187.5
[M+CH3COO]- 338.21255 180.2
[M+Na-2H]- 300.17337 167.3
[M]+ 279.19815 164.3
[M]- 279.19925 164.3
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

patents stripe