CID 5317764

Glycyrrhisoflavone

Structural Information

Molecular Formula
C20H18O6
SMILES
CC(=CCC1=C(C(=CC(=C1)C2=COC3=CC(=CC(=C3C2=O)O)O)O)O)C
InChI
InChI=1S/C20H18O6/c1-10(2)3-4-11-5-12(6-16(23)19(11)24)14-9-26-17-8-13(21)7-15(22)18(17)20(14)25/h3,5-9,21-24H,4H2,1-2H3
InChIKey
JOQWUUJQWPZLAT-UHFFFAOYSA-N
Compound name
3-[3,4-dihydroxy-5-(3-methylbut-2-enyl)phenyl]-5,7-dihydroxychromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

29
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 181.7
[M+Na]+ 377.09957 191.2
[M-H]- 353.10307 186.2
[M+NH4]+ 372.14417 192.3
[M+K]+ 393.07351 187.1
[M+H-H2O]+ 337.10761 174.3
[M+HCOO]- 399.10855 197.0
[M+CH3COO]- 413.12420 209.5
[M+Na-2H]- 375.08502 182.7
[M]+ 354.10980 184.4
[M]- 354.11090 184.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.