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]+ 329.10198 172.0
[M+Na]+ 351.08392 182.1
[M-H]- 327.08742 180.2
[M+NH4]+ 346.12852 187.5
[M+K]+ 367.05786 179.9
[M+H-H2O]+ 311.09196 165.5
[M+HCOO]- 373.09290 193.1
[M+CH3COO]- 387.10855 207.3
[M+Na-2H]- 349.06937 174.1
[M]+ 328.09415 179.0
[M]- 328.09525 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.