CID 15837698

3',5'-dihydroxy-2',4',6'-trimethoxydihydrochalcone

Structural Information

Molecular Formula
C18H20O6
SMILES
COC1=C(C(=C(C(=C1O)OC)O)OC)C(=O)CCC2=CC=CC=C2
InChI
InChI=1S/C18H20O6/c1-22-16-13(12(19)10-9-11-7-5-4-6-8-11)17(23-2)15(21)18(24-3)14(16)20/h4-8,20-21H,9-10H2,1-3H3
InChIKey
SUSGJBHGRXXLLU-UHFFFAOYSA-N
Compound name
1-(3,5-dihydroxy-2,4,6-trimethoxyphenyl)-3-phenylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

332.12598 Da
Monoisotopic Mass

2.7
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

patents stripe