CID 42607780

6,3'-dihydroxy-4,4'-dimethoxy-5-methylaurone

Structural Information

Molecular Formula
C18H16O6
SMILES
CC1=C(C2=C(C=C1O)O/C(=C/C3=CC(=C(C=C3)OC)O)/C2=O)OC
InChI
InChI=1S/C18H16O6/c1-9-11(19)8-14-16(18(9)23-3)17(21)15(24-14)7-10-4-5-13(22-2)12(20)6-10/h4-8,19-20H,1-3H3/b15-7+
InChIKey
IEOVAYFLORPJRQ-VIZOYTHASA-N
Compound name
(2E)-6-hydroxy-2-[(3-hydroxy-4-methoxyphenyl)methylidene]-4-methoxy-5-methyl-1-benzofuran-3-one
Related CIDs

2D Structure

compound 2d structure
1
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 172.3
[M+Na]+ 351.083918 182.9
[M-H]- 327.087424 179.6
[M+NH4]+ 346.128523 187.4
[M+K]+ 367.057858 180.0
[M+H-H2O]+ 311.091960 166.4
[M+HCOO]- 373.092901 191.9
[M+CH3COO]- 387.108551 206.5
[M+Na-2H]- 349.069366 173.4
[M]+ 328.09415142 178.0
[M]- 328.09524858 178.0
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.