CID 131751488

2',4,4',6-tetrahydroxy-3-methoxy-a-methylchalcone

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
1
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]+ 317.101976 169.9
[M+Na]+ 339.083918 177.3
[M-H]- 315.087424 172.2
[M+NH4]+ 334.128523 181.9
[M+K]+ 355.057858 173.5
[M+H-H2O]+ 299.091960 163.2
[M+HCOO]- 361.092901 186.7
[M+CH3COO]- 375.108551 200.2
[M+Na-2H]- 337.069366 168.8
[M]+ 316.09415142 170.6
[M]- 316.09524858 170.6
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.