CID 42607729

Beta-hydroxy-2',6'-dimethoxy-3',4'-methylenedioxydihydrochalcone

Structural Information

Molecular Formula
C18H18O6
SMILES
COC1=C(C(=C2C(=C1)OCO2)OC)C(=O)CC(C3=CC=CC=C3)O
InChI
InChI=1S/C18H18O6/c1-21-14-9-15-17(24-10-23-15)18(22-2)16(14)13(20)8-12(19)11-6-4-3-5-7-11/h3-7,9,12,19H,8,10H2,1-2H3
InChIKey
OZQWBGZVPYGMPN-UHFFFAOYSA-N
Compound name
1-(4,6-dimethoxy-1,3-benzodioxol-5-yl)-3-hydroxy-3-phenylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

330.11035 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.11763 174.7
[M+Na]+ 353.09957 181.4
[M-H]- 329.10307 182.5
[M+NH4]+ 348.14417 187.7
[M+K]+ 369.07351 181.5
[M+H-H2O]+ 313.10761 167.9
[M+HCOO]- 375.10855 192.8
[M+CH3COO]- 389.12420 206.9
[M+Na-2H]- 351.08502 177.1
[M]+ 330.10980 180.6
[M]- 330.11090 180.6
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.