CID 3008940

Chembl82359

Structural Information

Molecular Formula
C17H12N2O4
SMILES
C1=CC=C(C=C1)C(=O)NC2=NC3=C(C=CC(=C3O)C(=O)O)C=C2
InChI
InChI=1S/C17H12N2O4/c20-15-12(17(22)23)8-6-10-7-9-13(18-14(10)15)19-16(21)11-4-2-1-3-5-11/h1-9,20H,(H,22,23)(H,18,19,21)
InChIKey
QYXBWMKFRATWBW-UHFFFAOYSA-N
Compound name
2-benzamido-8-hydroxyquinoline-7-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

308.0797 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.08698 167.7
[M+Na]+ 331.06892 174.9
[M-H]- 307.07242 171.8
[M+NH4]+ 326.11352 180.0
[M+K]+ 347.04286 170.3
[M+H-H2O]+ 291.07696 159.2
[M+HCOO]- 353.07790 186.6
[M+CH3COO]- 367.09355 203.3
[M+Na-2H]- 329.05437 172.8
[M]+ 308.07915 166.9
[M]- 308.08025 166.9
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.