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]+ 270.07610 156.8
[M+Na]+ 292.05804 167.4
[M-H]- 268.06154 163.8
[M+NH4]+ 287.10264 172.8
[M+K]+ 308.03198 164.8
[M+H-H2O]+ 252.06608 149.5
[M+HCOO]- 314.06702 179.1
[M+CH3COO]- 328.08267 170.2
[M+Na-2H]- 290.04349 162.7
[M]+ 269.06827 162.1
[M]- 269.06937 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.