CID 44258686

Macaflavone ii

Structural Information

Molecular Formula
C26H26O6
SMILES
CC(=CCC1=C2C(=CC3=C1OC(=C(C3=O)OC)C4=CC(=C(C=C4)O)O)C=CC(O2)(C)C)C
InChI
InChI=1S/C26H26O6/c1-14(2)6-8-17-22-16(10-11-26(3,4)32-22)12-18-21(29)25(30-5)23(31-24(17)18)15-7-9-19(27)20(28)13-15/h6-7,9-13,27-28H,8H2,1-5H3
InChIKey
TVRDYVMRUJAIJL-UHFFFAOYSA-N
Compound name
8-(3,4-dihydroxyphenyl)-7-methoxy-2,2-dimethyl-10-(3-methylbut-2-enyl)pyrano[3,2-g]chromen-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

434.17294 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 435.18022 206.7
[M+Na]+ 457.16216 216.7
[M-H]- 433.16566 214.9
[M+NH4]+ 452.20676 217.0
[M+K]+ 473.13610 214.3
[M+H-H2O]+ 417.17020 197.6
[M+HCOO]- 479.17114 219.9
[M+CH3COO]- 493.18679 231.1
[M+Na-2H]- 455.14761 208.5
[M]+ 434.17239 213.5
[M]- 434.17349 213.5
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.