CID 6475554

Chembl38420

Structural Information

Molecular Formula
C16H11NO4
SMILES
C1=COC(=C1)/C=C/C2=NC3=C(C=C2)C=CC(=C3O)C(=O)O
InChI
InChI=1S/C16H11NO4/c18-15-13(16(19)20)8-4-10-3-5-11(17-14(10)15)6-7-12-2-1-9-21-12/h1-9,18H,(H,19,20)/b7-6+
InChIKey
FFXMPJHREREBSJ-VOTSOKGWSA-N
Compound name
2-[(E)-2-(furan-2-yl)ethenyl]-8-hydroxyquinoline-7-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

5
Patents

281.06882 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.076096 161.2
[M+Na]+ 304.058038 171.2
[M-H]- 280.061544 166.7
[M+NH4]+ 299.102643 175.9
[M+K]+ 320.031978 167.0
[M+H-H2O]+ 264.066080 154.0
[M+HCOO]- 326.067021 181.8
[M+CH3COO]- 340.082671 173.5
[M+Na-2H]- 302.043486 166.1
[M]+ 281.06827142 164.2
[M]- 281.06936858 164.2
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