CID 5481234

Licoisoflavone b

Structural Information

Molecular Formula
C20H16O6
SMILES
CC1(C=CC2=C(O1)C=CC(=C2O)C3=COC4=CC(=CC(=C4C3=O)O)O)C
InChI
InChI=1S/C20H16O6/c1-20(2)6-5-12-15(26-20)4-3-11(18(12)23)13-9-25-16-8-10(21)7-14(22)17(16)19(13)24/h3-9,21-23H,1-2H3
InChIKey
KIZPADOTOCPASX-UHFFFAOYSA-N
Compound name
5,7-dihydroxy-3-(5-hydroxy-2,2-dimethylchromen-6-yl)chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

25
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 180.8
[M+Na]+ 375.08392 192.4
[M-H]- 351.08742 188.5
[M+NH4]+ 370.12852 193.7
[M+K]+ 391.05786 190.1
[M+H-H2O]+ 335.09196 172.7
[M+HCOO]- 397.09290 195.6
[M+CH3COO]- 411.10855 192.2
[M+Na-2H]- 373.06937 187.2
[M]+ 352.09415 185.1
[M]- 352.09525 185.1
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