CID 9579178

3,4,5-trihydroxy-n-[(e)-(6-hydroxy-4-oxo-chromen-3-yl)methyleneamino]benzamide

Structural Information

Molecular Formula
C17H12N2O7
SMILES
C1=CC2=C(C=C1O)C(=O)C(=CO2)/C=N/NC(=O)C3=CC(=C(C(=C3)O)O)O
InChI
InChI=1S/C17H12N2O7/c20-10-1-2-14-11(5-10)15(23)9(7-26-14)6-18-19-17(25)8-3-12(21)16(24)13(22)4-8/h1-7,20-22,24H,(H,19,25)/b18-6+
InChIKey
MXXNDZPKDOSPNO-NGYBGAFCSA-N
Compound name
3,4,5-trihydroxy-N-[(E)-(6-hydroxy-4-oxochromen-3-yl)methylideneamino]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

356.06445 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.07173 177.3
[M+Na]+ 379.05367 185.8
[M-H]- 355.05717 183.1
[M+NH4]+ 374.09827 187.2
[M+K]+ 395.02761 183.4
[M+H-H2O]+ 339.06171 168.8
[M+HCOO]- 401.06265 197.5
[M+CH3COO]- 415.07830 213.7
[M+Na-2H]- 377.03912 182.2
[M]+ 356.06390 179.6
[M]- 356.06500 179.6
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.