CID 15549893

4-hydroxy-2',4'-dimethoxydihydrochalcone

Structural Information

Molecular Formula
C17H18O4
SMILES
COC1=CC(=C(C=C1)C(=O)CCC2=CC=C(C=C2)O)OC
InChI
InChI=1S/C17H18O4/c1-20-14-8-9-15(17(11-14)21-2)16(19)10-5-12-3-6-13(18)7-4-12/h3-4,6-9,11,18H,5,10H2,1-2H3
InChIKey
PGBXUNIUTBHZMK-UHFFFAOYSA-N
Compound name
1-(2,4-dimethoxyphenyl)-3-(4-hydroxyphenyl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.1205 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.12778 165.1
[M+Na]+ 309.10972 172.4
[M-H]- 285.11322 170.7
[M+NH4]+ 304.15432 180.1
[M+K]+ 325.08366 169.3
[M+H-H2O]+ 269.11776 157.4
[M+HCOO]- 331.11870 186.9
[M+CH3COO]- 345.13435 200.2
[M+Na-2H]- 307.09517 167.8
[M]+ 286.11995 168.9
[M]- 286.12105 168.9
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.