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]+ 309.086976 167.7
[M+Na]+ 331.068918 174.9
[M-H]- 307.072424 171.8
[M+NH4]+ 326.113523 180.0
[M+K]+ 347.042858 170.3
[M+H-H2O]+ 291.076960 159.2
[M+HCOO]- 353.077901 186.6
[M+CH3COO]- 367.093551 203.3
[M+Na-2H]- 329.054366 172.8
[M]+ 308.07915142 166.9
[M]- 308.08024858 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.