CID 6476404

4,6,4'-trihydroxy-3'-methoxyaurone

Structural Information

Molecular Formula
C16H12O6
SMILES
COC1=C(C=CC(=C1)/C=C\2/C(=O)C3=C(C=C(C=C3O2)O)O)O
InChI
InChI=1S/C16H12O6/c1-21-12-4-8(2-3-10(12)18)5-14-16(20)15-11(19)6-9(17)7-13(15)22-14/h2-7,17-19H,1H3/b14-5-
InChIKey
RPIRXLWYWRSESA-RZNTYIFUSA-N
Compound name
(2Z)-4,6-dihydroxy-2-[(4-hydroxy-3-methoxyphenyl)methylidene]-1-benzofuran-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

11
Patents

300.0634 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.07068 163.6
[M+Na]+ 323.05262 173.8
[M-H]- 299.05612 169.5
[M+NH4]+ 318.09722 178.9
[M+K]+ 339.02656 170.3
[M+H-H2O]+ 283.06066 158.0
[M+HCOO]- 345.06160 182.5
[M+CH3COO]- 359.07725 197.0
[M+Na-2H]- 321.03807 166.0
[M]+ 300.06285 166.4
[M]- 300.06395 166.4
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

patents stripe