CID 5317478

Gancaonin a

Structural Information

Molecular Formula
C21H20O5
SMILES
CC(=CCC1=C(C2=C(C=C1O)OC=C(C2=O)C3=CC=C(C=C3)OC)O)C
InChI
InChI=1S/C21H20O5/c1-12(2)4-9-15-17(22)10-18-19(20(15)23)21(24)16(11-26-18)13-5-7-14(25-3)8-6-13/h4-8,10-11,22-23H,9H2,1-3H3
InChIKey
JQNSUDIGIIGIOL-UHFFFAOYSA-N
Compound name
5,7-dihydroxy-3-(4-methoxyphenyl)-6-(3-methylbut-2-enyl)chromen-4-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

36
Patents

352.13107 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.13835 182.6
[M+Na]+ 375.12029 191.9
[M-H]- 351.12379 189.2
[M+NH4]+ 370.16489 194.5
[M+K]+ 391.09423 188.2
[M+H-H2O]+ 335.12833 174.5
[M+HCOO]- 397.12927 200.5
[M+CH3COO]- 411.14492 212.8
[M+Na-2H]- 373.10574 184.5
[M]+ 352.13052 187.2
[M]- 352.13162 187.2
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