CID 5317481

Gancaonin d

Structural Information

Molecular Formula
C21H20O7
SMILES
C/C(=C\CC1=C2C(=C(C=C1O)O)C(=O)C(=CO2)C3=CC(=C(C=C3)OC)O)/CO
InChI
InChI=1S/C21H20O7/c1-11(9-22)3-5-13-15(23)8-17(25)19-20(26)14(10-28-21(13)19)12-4-6-18(27-2)16(24)7-12/h3-4,6-8,10,22-25H,5,9H2,1-2H3/b11-3+
InChIKey
UCKSAYIMWMIZQJ-QDEBKDIKSA-N
Compound name
5,7-dihydroxy-3-(3-hydroxy-4-methoxyphenyl)-8-[(E)-4-hydroxy-3-methylbut-2-enyl]chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

384.1209 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.12818 189.8
[M+Na]+ 407.11012 203.4
[M+NH4]+ 402.15472 194.3
[M+K]+ 423.08406 198.7
[M-H]- 383.11362 192.5
[M+Na-2H]- 405.09557 192.8
[M]+ 384.12035 192.4
[M]- 384.12145 192.4
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.