CID 9997593

2',4',6'-trimethoxy-3,4-methylenedioxydihydrochalcone

Structural Information

Molecular Formula
C19H20O6
SMILES
COC1=CC(=C(C(=C1)OC)C(=O)CCC2=CC3=C(C=C2)OCO3)OC
InChI
InChI=1S/C19H20O6/c1-21-13-9-17(22-2)19(18(10-13)23-3)14(20)6-4-12-5-7-15-16(8-12)25-11-24-15/h5,7-10H,4,6,11H2,1-3H3
InChIKey
LWJGUEYGORYCIG-UHFFFAOYSA-N
Compound name
3-(1,3-benzodioxol-5-yl)-1-(2,4,6-trimethoxyphenyl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

344.12598 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.13326 178.9
[M+Na]+ 367.11520 186.8
[M-H]- 343.11870 188.2
[M+NH4]+ 362.15980 192.5
[M+K]+ 383.08914 187.1
[M+H-H2O]+ 327.12324 171.8
[M+HCOO]- 389.12418 199.2
[M+CH3COO]- 403.13983 212.5
[M+Na-2H]- 365.10065 181.6
[M]+ 344.12543 188.0
[M]- 344.12653 188.0
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.