CID 5481948

Semilicoisoflavone b

Structural Information

Molecular Formula
C20H16O6
SMILES
CC1(C=CC2=C(O1)C(=CC(=C2)C3=COC4=CC(=CC(=C4C3=O)O)O)O)C
InChI
InChI=1S/C20H16O6/c1-20(2)4-3-10-5-11(6-15(23)19(10)26-20)13-9-25-16-8-12(21)7-14(22)17(16)18(13)24/h3-9,21-23H,1-2H3
InChIKey
LWZACZCRAUQSLH-UHFFFAOYSA-N
Compound name
5,7-dihydroxy-3-(8-hydroxy-2,2-dimethylchromen-6-yl)chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

13
References

61
Patents

352.0947 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.10198 179.4
[M+Na]+ 375.08392 196.1
[M+NH4]+ 370.12852 188.0
[M+K]+ 391.05786 188.2
[M-H]- 351.08742 186.0
[M+Na-2H]- 373.06937 185.8
[M]+ 352.09415 184.1
[M]- 352.09525 184.1
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

patents stripe