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]+ 317.10198 170.0
[M+Na]+ 339.08392 177.9
[M-H]- 315.08742 177.0
[M+NH4]+ 334.12852 183.3
[M+K]+ 355.05786 176.9
[M+H-H2O]+ 299.09196 163.7
[M+HCOO]- 361.09290 187.9
[M+CH3COO]- 375.10855 202.1
[M+Na-2H]- 337.06937 173.0
[M]+ 316.09415 174.8
[M]- 316.09525 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.