CID 697640

2-(furan-2-yl)quinoline-4-carboxylic acid

Structural Information

Molecular Formula
C14H9NO3
SMILES
C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=CO3)C(=O)O
InChI
InChI=1S/C14H9NO3/c16-14(17)10-8-12(13-6-3-7-18-13)15-11-5-2-1-4-9(10)11/h1-8H,(H,16,17)
InChIKey
WWEKTFINADFAEC-UHFFFAOYSA-N
Compound name
2-(furan-2-yl)quinoline-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

13
References

113
Patents

239.05824 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.065516 149.0
[M+Na]+ 262.047458 159.4
[M-H]- 238.050964 155.9
[M+NH4]+ 257.092063 166.1
[M+K]+ 278.021398 156.4
[M+H-H2O]+ 222.055500 142.0
[M+HCOO]- 284.056441 171.6
[M+CH3COO]- 298.072091 162.7
[M+Na-2H]- 260.032906 156.1
[M]+ 239.05769142 152.2
[M]- 239.05878858 152.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe