CID 42607736

2-hydroxy-3,4,6-trimethoxydihydrochalcone

Structural Information

Molecular Formula
C18H20O5
SMILES
COC1=CC(=C(C(=C1CCC(=O)C2=CC=CC=C2)O)OC)OC
InChI
InChI=1S/C18H20O5/c1-21-15-11-16(22-2)18(23-3)17(20)13(15)9-10-14(19)12-7-5-4-6-8-12/h4-8,11,20H,9-10H2,1-3H3
InChIKey
ADHYECILSBTSIG-UHFFFAOYSA-N
Compound name
3-(2-hydroxy-3,4,6-trimethoxyphenyl)-1-phenylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

316.13107 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.13835 172.1
[M+Na]+ 339.12029 179.6
[M-H]- 315.12379 177.9
[M+NH4]+ 334.16489 186.1
[M+K]+ 355.09423 177.2
[M+H-H2O]+ 299.12833 164.1
[M+HCOO]- 361.12927 193.7
[M+CH3COO]- 375.14492 206.6
[M+Na-2H]- 337.10574 173.6
[M]+ 316.13052 178.1
[M]- 316.13162 178.1
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.