CID 42607777

6,3',4'-trihydroxy-4-methoxy-5-methylaurone

Structural Information

Molecular Formula
C17H14O6
SMILES
CC1=C(C2=C(C=C1O)OC(=CC3=CC(=C(C=C3)O)O)C2=O)OC
InChI
InChI=1S/C17H14O6/c1-8-11(19)7-13-15(17(8)22-2)16(21)14(23-13)6-9-3-4-10(18)12(20)5-9/h3-7,18-20H,1-2H3
InChIKey
APQPPUISLRYCEH-UHFFFAOYSA-N
Compound name
2-[(3,4-dihydroxyphenyl)methylidene]-6-hydroxy-4-methoxy-5-methyl-1-benzofuran-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

314.07904 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.08632 168.3
[M+Na]+ 337.06826 178.9
[M-H]- 313.07176 174.4
[M+NH4]+ 332.11286 183.3
[M+K]+ 353.04220 175.3
[M+H-H2O]+ 297.07630 162.8
[M+HCOO]- 359.07724 186.7
[M+CH3COO]- 373.09289 201.4
[M+Na-2H]- 335.05371 169.5
[M]+ 314.07849 171.9
[M]- 314.07959 171.9
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.