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 157.3
[M+Na]+ 292.05804 172.5
[M+NH4]+ 287.10264 164.9
[M+K]+ 308.03198 168.4
[M-H]- 268.06154 161.6
[M+Na-2H]- 290.04349 164.6
[M]+ 269.06827 160.7
[M]- 269.06937 160.7
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.