CID 44259961

5,7-dihydroxy-8-methoxy-3,4'-diprenyloxyflavone

Structural Information

Molecular Formula
C26H28O7
SMILES
CC(=CCOC1=CC=C(C=C1)C2=C(C(=O)C3=C(O2)C(=C(C=C3O)O)OC)OCC=C(C)C)C
InChI
InChI=1S/C26H28O7/c1-15(2)10-12-31-18-8-6-17(7-9-18)23-26(32-13-11-16(3)4)22(29)21-19(27)14-20(28)24(30-5)25(21)33-23/h6-11,14,27-28H,12-13H2,1-5H3
InChIKey
MOGCFWQNDOTUML-UHFFFAOYSA-N
Compound name
5,7-dihydroxy-8-methoxy-3-(3-methylbut-2-enoxy)-2-[4-(3-methylbut-2-enoxy)phenyl]chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

452.1835 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 453.19078 209.5
[M+Na]+ 475.17272 216.8
[M-H]- 451.17622 215.5
[M+NH4]+ 470.21732 217.0
[M+K]+ 491.14666 214.0
[M+H-H2O]+ 435.18076 200.3
[M+HCOO]- 497.18170 225.0
[M+CH3COO]- 511.19735 233.2
[M+Na-2H]- 473.15817 207.3
[M]+ 452.18295 217.6
[M]- 452.18405 217.6
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.