CID 622770

2-(furan-2-yl)-7-methoxyquinoline-4-carboxylic acid

Structural Information

Molecular Formula
C15H11NO4
SMILES
COC1=CC2=C(C=C1)C(=CC(=N2)C3=CC=CO3)C(=O)O
InChI
InChI=1S/C15H11NO4/c1-19-9-4-5-10-11(15(17)18)8-13(16-12(10)7-9)14-3-2-6-20-14/h2-8H,1H3,(H,17,18)
InChIKey
DSTMFKWLUOERII-UHFFFAOYSA-N
Compound name
2-(furan-2-yl)-7-methoxyquinoline-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.06882 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.076096 156.8
[M+Na]+ 292.058038 167.4
[M-H]- 268.061544 163.8
[M+NH4]+ 287.102643 172.8
[M+K]+ 308.031978 164.8
[M+H-H2O]+ 252.066080 149.5
[M+HCOO]- 314.067021 179.1
[M+CH3COO]- 328.082671 170.2
[M+Na-2H]- 290.043486 162.7
[M]+ 269.06827142 162.1
[M]- 269.06936858 162.1
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

No patent data available for this compound.