CID 131751488

(e)-3-(4-hydroxy-3-methoxyphenyl)-2-methyl-1-(2,4,6-trihydroxyphenyl)prop-2-en-1-one

Structural Information

Molecular Formula
C17H16O6
SMILES
C/C(=C\C1=CC(=C(C=C1)O)OC)/C(=O)C2=C(C=C(C=C2O)O)O
InChI
InChI=1S/C17H16O6/c1-9(5-10-3-4-12(19)15(6-10)23-2)17(22)16-13(20)7-11(18)8-14(16)21/h3-8,18-21H,1-2H3/b9-5+
InChIKey
MBDHLQKZIVIDEY-WEVVVXLNSA-N
Compound name
(E)-3-(4-hydroxy-3-methoxyphenyl)-2-methyl-1-(2,4,6-trihydroxyphenyl)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

316.0947 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.10198 172.2
[M+Na]+ 339.08392 183.7
[M+NH4]+ 334.12852 176.6
[M+K]+ 355.05786 180.2
[M-H]- 315.08742 172.5
[M+Na-2H]- 337.06937 175.9
[M]+ 316.09415 173.6
[M]- 316.09525 173.6
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.