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]+ 329.10198 172.3
[M+Na]+ 351.08392 182.9
[M-H]- 327.08742 179.6
[M+NH4]+ 346.12852 187.4
[M+K]+ 367.05786 180.0
[M+H-H2O]+ 311.09196 166.4
[M+HCOO]- 373.09290 191.9
[M+CH3COO]- 387.10855 206.5
[M+Na-2H]- 349.06937 173.4
[M]+ 328.09415 178.0
[M]- 328.09525 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.