CID 3010963

Bioa-53

Structural Information

Molecular Formula
C17H12N2O6
SMILES
C1=CC(=C(C2=C1C=CC(=N2)NC(=O)C3=CC(=C(C=C3)O)O)O)C(=O)O
InChI
InChI=1S/C17H12N2O6/c20-11-5-2-9(7-12(11)21)16(23)19-13-6-3-8-1-4-10(17(24)25)15(22)14(8)18-13/h1-7,20-22H,(H,24,25)(H,18,19,23)
InChIKey
BILJGDPTHJIVGH-UHFFFAOYSA-N
Compound name
2-[(3,4-dihydroxybenzoyl)amino]-8-hydroxyquinoline-7-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

340.06955 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.07683 173.9
[M+Na]+ 363.05877 181.3
[M-H]- 339.06227 176.0
[M+NH4]+ 358.10337 183.7
[M+K]+ 379.03271 177.2
[M+H-H2O]+ 323.06681 165.8
[M+HCOO]- 385.06775 189.9
[M+CH3COO]- 399.08340 206.8
[M+Na-2H]- 361.04422 176.9
[M]+ 340.06900 173.2
[M]- 340.07010 173.2
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.