CID 9579177

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

Structural Information

Molecular Formula
C18H14N2O6
SMILES
CC1=CC2=C(C=C1)OC=C(C2=O)/C=N/NC(=O)C3=CC(=C(C(=C3)O)O)O
InChI
InChI=1S/C18H14N2O6/c1-9-2-3-15-12(4-9)16(23)11(8-26-15)7-19-20-18(25)10-5-13(21)17(24)14(22)6-10/h2-8,21-22,24H,1H3,(H,20,25)/b19-7+
InChIKey
JALSSWMXGYNIAB-FBCYGCLPSA-N
Compound name
3,4,5-trihydroxy-N-[(E)-(6-methyl-4-oxochromen-3-yl)methylideneamino]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

354.08517 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.09245 179.5
[M+Na]+ 377.07439 188.3
[M-H]- 353.07789 186.5
[M+NH4]+ 372.11899 190.3
[M+K]+ 393.04833 185.6
[M+H-H2O]+ 337.08243 170.9
[M+HCOO]- 399.08337 200.7
[M+CH3COO]- 413.09902 216.1
[M+Na-2H]- 375.05984 184.1
[M]+ 354.08462 182.5
[M]- 354.08572 182.5
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.