CID 2063288

2-([1,1'-biphenyl]-4-yl)quinoline-4-carboxylic acid

Structural Information

Molecular Formula
C22H15NO2
SMILES
C1=CC=C(C=C1)C2=CC=C(C=C2)C3=NC4=CC=CC=C4C(=C3)C(=O)O
InChI
InChI=1S/C22H15NO2/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/h1-14H,(H,24,25)
InChIKey
VESNJOQCJLQZSK-UHFFFAOYSA-N
Compound name
2-(4-phenylphenyl)quinoline-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

28
Patents

325.1103 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.11758 177.1
[M+Na]+ 348.09952 184.7
[M-H]- 324.10302 185.0
[M+NH4]+ 343.14412 189.1
[M+K]+ 364.07346 177.9
[M+H-H2O]+ 308.10756 166.7
[M+HCOO]- 370.10850 196.1
[M+CH3COO]- 384.12415 187.3
[M+Na-2H]- 346.08497 182.5
[M]+ 325.10975 175.9
[M]- 325.11085 175.9
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