CID 131752787

5-hydroxy-4,4',6-trimethoxyaurone

Structural Information

Molecular Formula
C18H16O6
SMILES
COC1=CC=C(C=C1)/C=C/2\C(=O)C3=C(C(=C(C=C3O2)OC)O)OC
InChI
InChI=1S/C18H16O6/c1-21-11-6-4-10(5-7-11)8-14-16(19)15-12(24-14)9-13(22-2)17(20)18(15)23-3/h4-9,20H,1-3H3/b14-8+
InChIKey
SDBGODOJRLLNSU-RIYZIHGNSA-N
Compound name
(2E)-5-hydroxy-4,6-dimethoxy-2-[(4-methoxyphenyl)methylidene]-1-benzofuran-3-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

328.0947 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.101976 172.0
[M+Na]+ 351.083918 182.1
[M-H]- 327.087424 180.2
[M+NH4]+ 346.128523 187.5
[M+K]+ 367.057858 179.9
[M+H-H2O]+ 311.091960 165.5
[M+HCOO]- 373.092901 193.1
[M+CH3COO]- 387.108551 207.3
[M+Na-2H]- 349.069366 174.1
[M]+ 328.09415142 179.0
[M]- 328.09524858 179.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.