CID 14261270

2',4'-dihydroxy-6'-methoxy-3,4-methylenedioxydihydrochalcone

Structural Information

Molecular Formula
C17H16O6
SMILES
COC1=CC(=CC(=C1C(=O)CCC2=CC3=C(C=C2)OCO3)O)O
InChI
InChI=1S/C17H16O6/c1-21-16-8-11(18)7-13(20)17(16)12(19)4-2-10-3-5-14-15(6-10)23-9-22-14/h3,5-8,18,20H,2,4,9H2,1H3
InChIKey
IHHOUZQOMVPTMQ-UHFFFAOYSA-N
Compound name
3-(1,3-benzodioxol-5-yl)-1-(2,4-dihydroxy-6-methoxyphenyl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

316.0947 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.101976 170.0
[M+Na]+ 339.083918 177.9
[M-H]- 315.087424 177.0
[M+NH4]+ 334.128523 183.3
[M+K]+ 355.057858 176.9
[M+H-H2O]+ 299.091960 163.7
[M+HCOO]- 361.092901 187.9
[M+CH3COO]- 375.108551 202.1
[M+Na-2H]- 337.069366 173.0
[M]+ 316.09415142 174.8
[M]- 316.09524858 174.8
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.