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
2
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]+ 355.117626 181.6
[M+Na]+ 377.099568 190.2
[M-H]- 353.103074 185.6
[M+NH4]+ 372.144173 191.8
[M+K]+ 393.073508 185.9
[M+H-H2O]+ 337.107610 174.0
[M+HCOO]- 399.108551 197.0
[M+CH3COO]- 413.124201 208.1
[M+Na-2H]- 375.085016 183.3
[M]+ 354.10980142 183.8
[M]- 354.11089858 183.8
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.