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

14
Patents

279.08954 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.096816 162.4
[M+Na]+ 302.078758 171.1
[M-H]- 278.082264 167.8
[M+NH4]+ 297.123363 177.1
[M+K]+ 318.052698 166.5
[M+H-H2O]+ 262.086800 153.8
[M+HCOO]- 324.087741 182.4
[M+CH3COO]- 338.103391 198.6
[M+Na-2H]- 300.064206 168.3
[M]+ 279.08899142 163.9
[M]- 279.09008858 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