CID 44260024

5,7-dihydroxy-3,8,3'-trimethoxy-4'-prenyloxyflavone

Structural Information

Molecular Formula
C23H24O8
SMILES
CC(=CCOC1=C(C=C(C=C1)C2=C(C(=O)C3=C(O2)C(=C(C=C3O)O)OC)OC)OC)C
InChI
InChI=1S/C23H24O8/c1-12(2)8-9-30-16-7-6-13(10-17(16)27-3)20-23(29-5)19(26)18-14(24)11-15(25)21(28-4)22(18)31-20/h6-8,10-11,24-25H,9H2,1-5H3
InChIKey
JBGSDQZIBUGNCO-UHFFFAOYSA-N
Compound name
5,7-dihydroxy-3,8-dimethoxy-2-[3-methoxy-4-(3-methylbut-2-enoxy)phenyl]chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

428.14713 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 429.154406 199.6
[M+Na]+ 451.136348 208.7
[M-H]- 427.139854 206.4
[M+NH4]+ 446.180953 208.4
[M+K]+ 467.110288 207.5
[M+H-H2O]+ 411.144390 190.5
[M+HCOO]- 473.145331 217.0
[M+CH3COO]- 487.160981 228.5
[M+Na-2H]- 449.121796 199.6
[M]+ 428.14658142 210.0
[M]- 428.14767858 210.0
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.