CID 42607717

2'-hydroxy-5',6'-dimethoxy-3,4-methylenedioxyfurano[2'',3'':4',3'] dihydrochalcone

Structural Information

Molecular Formula
C20H18O7
SMILES
COC1=C(C(=C2C=COC2=C1OC)O)C(=O)CCC3=CC4=C(C=C3)OCO4
InChI
InChI=1S/C20H18O7/c1-23-19-16(17(22)12-7-8-25-18(12)20(19)24-2)13(21)5-3-11-4-6-14-15(9-11)27-10-26-14/h4,6-9,22H,3,5,10H2,1-2H3
InChIKey
VNTLKSDVRKGNNM-UHFFFAOYSA-N
Compound name
3-(1,3-benzodioxol-5-yl)-1-(4-hydroxy-6,7-dimethoxy-1-benzofuran-5-yl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

370.10526 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.11254 182.9
[M+Na]+ 393.09448 192.7
[M-H]- 369.09798 193.6
[M+NH4]+ 388.13908 196.3
[M+K]+ 409.06842 193.2
[M+H-H2O]+ 353.10252 178.1
[M+HCOO]- 415.10346 202.2
[M+CH3COO]- 429.11911 214.9
[M+Na-2H]- 391.07993 185.6
[M]+ 370.10471 193.9
[M]- 370.10581 193.9
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.