CID 44257285

6-(1,1-dimethylallyl)genistein

Structural Information

Molecular Formula
C20H18O5
SMILES
CC(C)(C=C)C1=C(C2=C(C=C1O)OC=C(C2=O)C3=CC=C(C=C3)O)O
InChI
InChI=1S/C20H18O5/c1-4-20(2,3)17-14(22)9-15-16(19(17)24)18(23)13(10-25-15)11-5-7-12(21)8-6-11/h4-10,21-22,24H,1H2,2-3H3
InChIKey
QHOGIWOAXCXNES-UHFFFAOYSA-N
Compound name
5,7-dihydroxy-3-(4-hydroxyphenyl)-6-(2-methylbut-3-en-2-yl)chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

338.11542 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.12270 178.3
[M+Na]+ 361.10464 188.2
[M-H]- 337.10814 183.9
[M+NH4]+ 356.14924 190.1
[M+K]+ 377.07858 184.0
[M+H-H2O]+ 321.11268 171.2
[M+HCOO]- 383.11362 194.4
[M+CH3COO]- 397.12927 207.9
[M+Na-2H]- 359.09009 182.6
[M]+ 338.11487 181.1
[M]- 338.11597 181.1
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.