CID 6450959

Gancaonin c

Structural Information

Molecular Formula
C20H18O6
SMILES
C/C(=C\CC1=C2C(=C(C=C1O)O)C(=O)C(=CO2)C3=CC=C(C=C3)O)/CO
InChI
InChI=1S/C20H18O6/c1-11(9-21)2-7-14-16(23)8-17(24)18-19(25)15(10-26-20(14)18)12-3-5-13(22)6-4-12/h2-6,8,10,21-24H,7,9H2,1H3/b11-2+
InChIKey
MEADLGUPYQNUNF-BIIKFXOESA-N
Compound name
5,7-dihydroxy-8-[(E)-4-hydroxy-3-methylbut-2-enyl]-3-(4-hydroxyphenyl)chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

354.11035 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.11763 182.3
[M+Na]+ 377.09957 196.2
[M+NH4]+ 372.14417 187.5
[M+K]+ 393.07351 191.0
[M-H]- 353.10307 185.4
[M+Na-2H]- 375.08502 186.2
[M]+ 354.10980 185.0
[M]- 354.11090 185.0
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.