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
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 169.9
[M+Na]+ 339.08392 177.3
[M-H]- 315.08742 172.2
[M+NH4]+ 334.12852 181.9
[M+K]+ 355.05786 173.5
[M+H-H2O]+ 299.09196 163.2
[M+HCOO]- 361.09290 186.7
[M+CH3COO]- 375.10855 200.2
[M+Na-2H]- 337.06937 168.8
[M]+ 316.09415 170.6
[M]- 316.09525 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.