CID 42607553

5'-hydroxy-2'-methoxy-3,4-methylenedioxyfurano[2'',3'':4',3']chalcone

Structural Information

Molecular Formula
C19H14O6
SMILES
COC1=C2C=COC2=C(C=C1C(=O)/C=C/C3=CC4=C(C=C3)OCO4)O
InChI
InChI=1S/C19H14O6/c1-22-18-12-6-7-23-19(12)15(21)9-13(18)14(20)4-2-11-3-5-16-17(8-11)25-10-24-16/h2-9,21H,10H2,1H3/b4-2+
InChIKey
YNUGACKHHNAYKR-DUXPYHPUSA-N
Compound name
(E)-3-(1,3-benzodioxol-5-yl)-1-(7-hydroxy-4-methoxy-1-benzofuran-5-yl)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

338.07904 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.08632 174.8
[M+Na]+ 361.06826 184.9
[M-H]- 337.07176 185.3
[M+NH4]+ 356.11286 189.4
[M+K]+ 377.04220 184.2
[M+H-H2O]+ 321.07630 170.1
[M+HCOO]- 383.07724 194.6
[M+CH3COO]- 397.09289 187.7
[M+Na-2H]- 359.05371 178.4
[M]+ 338.07849 182.9
[M]- 338.07959 182.9
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.