CID 136153556

2-(4-hydroxyphenyl)-6-methoxy-4-quinolinecarboxylic acid

Structural Information

Molecular Formula
C17H13NO4
SMILES
COC1=CC2=C(C=C1)N=C(C=C2C(=O)O)C3=CC=C(C=C3)O
InChI
InChI=1S/C17H13NO4/c1-22-12-6-7-15-13(8-12)14(17(20)21)9-16(18-15)10-2-4-11(19)5-3-10/h2-9,19H,1H3,(H,20,21)
InChIKey
PBBBYEJZHSDBSW-UHFFFAOYSA-N
Compound name
2-(4-hydroxyphenyl)-6-methoxyquinoline-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

295.08447 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.091746 165.7
[M+Na]+ 318.073688 174.6
[M-H]- 294.077194 170.1
[M+NH4]+ 313.118293 179.3
[M+K]+ 334.047628 170.1
[M+H-H2O]+ 278.081730 157.4
[M+HCOO]- 340.082671 184.3
[M+CH3COO]- 354.098321 199.8
[M+Na-2H]- 316.059136 170.5
[M]+ 295.08392142 167.3
[M]- 295.08501858 167.3
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