CID 6475334

Chembl39143

Structural Information

Molecular Formula
C17H12N2O3
SMILES
C1=CC(=CN=C1)/C=C/C2=NC3=C(C=C2)C=CC(=C3O)C(=O)O
InChI
InChI=1S/C17H12N2O3/c20-16-14(17(21)22)8-5-12-4-7-13(19-15(12)16)6-3-11-2-1-9-18-10-11/h1-10,20H,(H,21,22)/b6-3+
InChIKey
NAXMYICVWWCHAK-ZZXKWVIFSA-N
Compound name
8-hydroxy-2-[(E)-2-pyridin-3-ylethenyl]quinoline-7-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

0
Patents

292.08478 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.09206 166.8
[M+Na]+ 315.07400 175.4
[M-H]- 291.07750 169.4
[M+NH4]+ 310.11860 178.8
[M+K]+ 331.04794 169.1
[M+H-H2O]+ 275.08204 157.7
[M+HCOO]- 337.08298 184.1
[M+CH3COO]- 351.09863 177.0
[M+Na-2H]- 313.05945 172.3
[M]+ 292.08423 166.2
[M]- 292.08533 166.2
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

No patent data available for this compound.