CID 42607708

2',6'-dihydroxy-3,4,4'-trimethoxydihydrochalcone

Structural Information

Molecular Formula
C18H20O6
SMILES
COC1=C(C=C(C=C1)CCC(=O)C2=C(C=C(C=C2O)OC)O)OC
InChI
InChI=1S/C18H20O6/c1-22-12-9-14(20)18(15(21)10-12)13(19)6-4-11-5-7-16(23-2)17(8-11)24-3/h5,7-10,20-21H,4,6H2,1-3H3
InChIKey
VYYJLXHPEJDQOW-UHFFFAOYSA-N
Compound name
1-(2,6-dihydroxy-4-methoxyphenyl)-3-(3,4-dimethoxyphenyl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

332.12598 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.13326 174.8
[M+Na]+ 355.11520 182.5
[M-H]- 331.11870 179.5
[M+NH4]+ 350.15980 187.5
[M+K]+ 371.08914 180.1
[M+H-H2O]+ 315.12324 166.9
[M+HCOO]- 377.12418 195.0
[M+CH3COO]- 391.13983 207.8
[M+Na-2H]- 353.10065 175.3
[M]+ 332.12543 180.8
[M]- 332.12653 180.8
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.