CID 42607771

4,6,3',4'-tetrahydroxy-5-methylaurone

Structural Information

Molecular Formula
C16H12O6
SMILES
CC1=C(C2=C(C=C1O)O/C(=C\C3=CC(=C(C=C3)O)O)/C2=O)O
InChI
InChI=1S/C16H12O6/c1-7-10(18)6-12-14(15(7)20)16(21)13(22-12)5-8-2-3-9(17)11(19)4-8/h2-6,17-20H,1H3/b13-5-
InChIKey
LEAOMQYNYFRDAT-ACAGNQJTSA-N
Compound name
(2Z)-2-[(3,4-dihydroxyphenyl)methylidene]-4,6-dihydroxy-5-methyl-1-benzofuran-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 164.3
[M+Na]+ 323.05262 174.9
[M-H]- 299.05612 169.2
[M+NH4]+ 318.09722 179.1
[M+K]+ 339.02656 170.7
[M+H-H2O]+ 283.06066 159.2
[M+HCOO]- 345.06160 181.6
[M+CH3COO]- 359.07725 196.4
[M+Na-2H]- 321.03807 165.6
[M]+ 300.06285 165.8
[M]- 300.06395 165.8
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.