CID 237402

6-methoxy-2-phenyl-4-quinolinecarboxylic acid

Structural Information

Molecular Formula
C17H13NO3
SMILES
COC1=CC2=C(C=C1)N=C(C=C2C(=O)O)C3=CC=CC=C3
InChI
InChI=1S/C17H13NO3/c1-21-12-7-8-15-13(9-12)14(17(19)20)10-16(18-15)11-5-3-2-4-6-11/h2-10H,1H3,(H,19,20)
InChIKey
AMQMKQXMOAQMSJ-UHFFFAOYSA-N
Compound name
6-methoxy-2-phenylquinoline-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

35
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

literature stripe

Patent stripe

patents stripe