CID 5317479

Gancaonin b

Structural Information

Molecular Formula
C21H20O6
SMILES
CC(=CCC1=C(C2=C(C=C1O)OC=C(C2=O)C3=CC(=C(C=C3)OC)O)O)C
InChI
InChI=1S/C21H20O6/c1-11(2)4-6-13-15(22)9-18-19(20(13)24)21(25)14(10-27-18)12-5-7-17(26-3)16(23)8-12/h4-5,7-10,22-24H,6H2,1-3H3
InChIKey
YQEPOQVRUDADPH-UHFFFAOYSA-N
Compound name
5,7-dihydroxy-3-(3-hydroxy-4-methoxyphenyl)-6-(3-methylbut-2-enyl)chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

15
Patents

368.12598 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.13326 186.3
[M+Na]+ 391.11520 200.9
[M+NH4]+ 386.15980 191.7
[M+K]+ 407.08914 195.3
[M-H]- 367.11870 190.0
[M+Na-2H]- 389.10065 190.4
[M]+ 368.12543 189.4
[M]- 368.12653 189.4
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

patents stripe