CID 3002921

2,4-dicyclohexylquinoline-3-carboxylic acid

Structural Information

Molecular Formula
C22H27NO2
SMILES
C1CCC(CC1)C2=C(C(=NC3=CC=CC=C32)C4CCCCC4)C(=O)O
InChI
InChI=1S/C22H27NO2/c24-22(25)20-19(15-9-3-1-4-10-15)17-13-7-8-14-18(17)23-21(20)16-11-5-2-6-12-16/h7-8,13-16H,1-6,9-12H2,(H,24,25)
InChIKey
ZDRZHZUFUOZULF-UHFFFAOYSA-N
Compound name
2,4-dicyclohexylquinoline-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

337.2042 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.21148 182.5
[M+Na]+ 360.19342 184.1
[M-H]- 336.19692 188.0
[M+NH4]+ 355.23802 193.7
[M+K]+ 376.16736 178.3
[M+H-H2O]+ 320.20146 172.1
[M+HCOO]- 382.20240 193.1
[M+CH3COO]- 396.21805 189.6
[M+Na-2H]- 358.17887 181.9
[M]+ 337.20365 172.9
[M]- 337.20475 172.9
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.