CID 3012215

4-quinolineacetic acid, 2,8-dicyclohexyl-

Structural Information

Molecular Formula
C23H29NO2
SMILES
C1CCC(CC1)C2=CC=CC3=C2N=C(C=C3CC(=O)O)C4CCCCC4
InChI
InChI=1S/C23H29NO2/c25-22(26)15-18-14-21(17-10-5-2-6-11-17)24-23-19(12-7-13-20(18)23)16-8-3-1-4-9-16/h7,12-14,16-17H,1-6,8-11,15H2,(H,25,26)
InChIKey
QUIJKQXPQYMTRN-UHFFFAOYSA-N
Compound name
2-(2,8-dicyclohexylquinolin-4-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

351.21982 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.22710 186.9
[M+Na]+ 374.20904 188.0
[M-H]- 350.21254 192.1
[M+NH4]+ 369.25364 197.4
[M+K]+ 390.18298 182.0
[M+H-H2O]+ 334.21708 176.2
[M+HCOO]- 396.21802 197.1
[M+CH3COO]- 410.23367 193.5
[M+Na-2H]- 372.19449 185.7
[M]+ 351.21927 177.6
[M]- 351.22037 177.6
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.