CID 673666

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

Structural Information

Molecular Formula
C17H13NO3
SMILES
COC1=CC=CC(=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)O
InChI
InChI=1S/C17H13NO3/c1-21-12-6-4-5-11(9-12)16-10-14(17(19)20)13-7-2-3-8-15(13)18-16/h2-10H,1H3,(H,19,20)
InChIKey
YBOFRTWITLNSGS-UHFFFAOYSA-N
Compound name
2-(3-methoxyphenyl)quinoline-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

279.08954 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.09682 162.4
[M+Na]+ 302.07876 171.1
[M-H]- 278.08226 167.8
[M+NH4]+ 297.12336 177.1
[M+K]+ 318.05270 166.5
[M+H-H2O]+ 262.08680 153.8
[M+HCOO]- 324.08774 182.4
[M+CH3COO]- 338.10339 198.6
[M+Na-2H]- 300.06421 168.3
[M]+ 279.08899 163.9
[M]- 279.09009 163.9
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

patents stripe