CID 42607713

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

Structural Information

Molecular Formula
C18H18O5
SMILES
COC1=C(C(=C2C(=C1)OCO2)OC)C(=O)CCC3=CC=CC=C3
InChI
InChI=1S/C18H18O5/c1-20-14-10-15-17(23-11-22-15)18(21-2)16(14)13(19)9-8-12-6-4-3-5-7-12/h3-7,10H,8-9,11H2,1-2H3
InChIKey
LTJLFELZIFNMPJ-UHFFFAOYSA-N
Compound name
1-(4,6-dimethoxy-1,3-benzodioxol-5-yl)-3-phenylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

314.11542 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.12270 171.6
[M+Na]+ 337.10464 179.3
[M-H]- 313.10814 180.7
[M+NH4]+ 332.14924 186.3
[M+K]+ 353.07858 179.1
[M+H-H2O]+ 297.11268 164.7
[M+HCOO]- 359.11362 192.1
[M+CH3COO]- 373.12927 206.0
[M+Na-2H]- 335.09009 175.4
[M]+ 314.11487 178.5
[M]- 314.11597 178.5
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.