CID 171119397

Brandisianone g

Structural Information

Molecular Formula
C20H18O5
SMILES
COC1=C(C(=C2C=COC2=C1)OC)C(=O)/C=C(/C3=CC=CC=C3)\OC
InChI
InChI=1S/C20H18O5/c1-22-16(13-7-5-4-6-8-13)11-15(21)19-18(23-2)12-17-14(9-10-25-17)20(19)24-3/h4-12H,1-3H3/b16-11-
InChIKey
MBLLMTATIXAMHU-WJDWOHSUSA-N
Compound name
(Z)-1-(4,6-dimethoxy-1-benzofuran-5-yl)-3-methoxy-3-phenylprop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

338.11542 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.12270 178.4
[M+Na]+ 361.10464 186.9
[M-H]- 337.10814 187.4
[M+NH4]+ 356.14924 193.3
[M+K]+ 377.07858 185.0
[M+H-H2O]+ 321.11268 170.8
[M+HCOO]- 383.11362 201.1
[M+CH3COO]- 397.12927 210.6
[M+Na-2H]- 359.09009 180.9
[M]+ 338.11487 186.6
[M]- 338.11597 186.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.