CID 1830299

2-(4-cyclohexylphenyl)quinoline-4-carboxylic acid

Structural Information

Molecular Formula
C22H21NO2
SMILES
C1CCC(CC1)C2=CC=C(C=C2)C3=NC4=CC=CC=C4C(=C3)C(=O)O
InChI
InChI=1S/C22H21NO2/c24-22(25)19-14-21(23-20-9-5-4-8-18(19)20)17-12-10-16(11-13-17)15-6-2-1-3-7-15/h4-5,8-15H,1-3,6-7H2,(H,24,25)
InChIKey
RBOVWLWNMRNXDT-UHFFFAOYSA-N
Compound name
2-(4-cyclohexylphenyl)quinoline-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

4
Patents

331.15723 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.16451 179.4
[M+Na]+ 354.14645 184.0
[M-H]- 330.14995 186.1
[M+NH4]+ 349.19105 191.0
[M+K]+ 370.12039 177.7
[M+H-H2O]+ 314.15449 169.0
[M+HCOO]- 376.15543 194.3
[M+CH3COO]- 390.17108 188.1
[M+Na-2H]- 352.13190 181.8
[M]+ 331.15668 174.0
[M]- 331.15778 174.0
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