CID 621869

2-(3-methylphenyl)quinoline-4-carboxylic acid

Structural Information

Molecular Formula
C17H13NO2
SMILES
CC1=CC(=CC=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)O
InChI
InChI=1S/C17H13NO2/c1-11-5-4-6-12(9-11)16-10-14(17(19)20)13-7-2-3-8-15(13)18-16/h2-10H,1H3,(H,19,20)
InChIKey
IDICWBXZRWNVIU-UHFFFAOYSA-N
Compound name
2-(3-methylphenyl)quinoline-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

263.09464 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.101916 159.2
[M+Na]+ 286.083858 168.1
[M-H]- 262.087364 164.6
[M+NH4]+ 281.128463 174.7
[M+K]+ 302.057798 162.8
[M+H-H2O]+ 246.091900 150.9
[M+HCOO]- 308.092841 179.0
[M+CH3COO]- 322.108491 171.1
[M+Na-2H]- 284.069306 165.1
[M]+ 263.09409142 159.3
[M]- 263.09518858 159.3
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

patents stripe