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

3
Patents

295.08447 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.09175 165.7
[M+Na]+ 318.07369 174.6
[M-H]- 294.07719 170.1
[M+NH4]+ 313.11829 179.3
[M+K]+ 334.04763 170.1
[M+H-H2O]+ 278.08173 157.4
[M+HCOO]- 340.08267 184.3
[M+CH3COO]- 354.09832 199.8
[M+Na-2H]- 316.05914 170.5
[M]+ 295.08392 167.3
[M]- 295.08502 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