CID 9579175

3,4,5-trihydroxy-n-[(e)-(4-oxochromen-3-yl)methyleneamino]benzamide

Structural Information

Molecular Formula
C17H12N2O6
SMILES
C1=CC=C2C(=C1)C(=O)C(=CO2)/C=N/NC(=O)C3=CC(=C(C(=C3)O)O)O
InChI
InChI=1S/C17H12N2O6/c20-12-5-9(6-13(21)16(12)23)17(24)19-18-7-10-8-25-14-4-2-1-3-11(14)15(10)22/h1-8,20-21,23H,(H,19,24)/b18-7+
InChIKey
NMHREPWDXWWCSF-CNHKJKLMSA-N
Compound name
3,4,5-trihydroxy-N-[(E)-(4-oxochromen-3-yl)methylideneamino]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

340.06955 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.07683 174.1
[M+Na]+ 363.05877 182.5
[M-H]- 339.06227 180.9
[M+NH4]+ 358.10337 185.3
[M+K]+ 379.03271 179.9
[M+H-H2O]+ 323.06681 165.6
[M+HCOO]- 385.06775 195.8
[M+CH3COO]- 399.08340 211.7
[M+Na-2H]- 361.04422 180.0
[M]+ 340.06900 176.3
[M]- 340.07010 176.3
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.