CID 5281789

Licoisoflavone a

Structural Information

Molecular Formula
C20H18O6
SMILES
CC(=CCC1=C(C=CC(=C1O)C2=COC3=CC(=CC(=C3C2=O)O)O)O)C
InChI
InChI=1S/C20H18O6/c1-10(2)3-4-13-15(22)6-5-12(19(13)24)14-9-26-17-8-11(21)7-16(23)18(17)20(14)25/h3,5-9,21-24H,4H2,1-2H3
InChIKey
KCUZCRLRQVRBBV-UHFFFAOYSA-N
Compound name
3-[2,4-dihydroxy-3-(3-methylbut-2-enyl)phenyl]-5,7-dihydroxychromen-4-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

6
References

39
Patents

354.11035 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.11763 182.4
[M+Na]+ 377.09957 196.7
[M+NH4]+ 372.14417 187.6
[M+K]+ 393.07351 191.6
[M-H]- 353.10307 185.6
[M+Na-2H]- 375.08502 186.1
[M]+ 354.10980 185.3
[M]- 354.11090 185.3
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

patents stripe