CID 3012208

Methyl 2,8-dicyclohexylquinoline-4-carboxylate

Structural Information

Molecular Formula
C23H29NO2
SMILES
COC(=O)C1=CC(=NC2=C1C=CC=C2C3CCCCC3)C4CCCCC4
InChI
InChI=1S/C23H29NO2/c1-26-23(25)20-15-21(17-11-6-3-7-12-17)24-22-18(13-8-14-19(20)22)16-9-4-2-5-10-16/h8,13-17H,2-7,9-12H2,1H3
InChIKey
SDSHHQSMSCLCIK-UHFFFAOYSA-N
Compound name
methyl 2,8-dicyclohexylquinoline-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

351.21982 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.22710 187.4
[M+Na]+ 374.20904 188.9
[M-H]- 350.21254 194.0
[M+NH4]+ 369.25364 198.7
[M+K]+ 390.18298 183.7
[M+H-H2O]+ 334.21708 176.3
[M+HCOO]- 396.21802 199.0
[M+CH3COO]- 410.23367 194.6
[M+Na-2H]- 372.19449 186.5
[M]+ 351.21927 179.7
[M]- 351.22037 179.7
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.