CID 21591149

Licoriphenone

Structural Information

Molecular Formula
C21H24O6
SMILES
CC(=CCC1=C(C=C(C(=C1OC)CC(=O)C2=C(C=C(C=C2)O)O)O)OC)C
InChI
InChI=1S/C21H24O6/c1-12(2)5-7-15-20(26-3)11-19(25)16(21(15)27-4)10-18(24)14-8-6-13(22)9-17(14)23/h5-6,8-9,11,22-23,25H,7,10H2,1-4H3
InChIKey
LXLBPEZCZLGOGJ-UHFFFAOYSA-N
Compound name
1-(2,4-dihydroxyphenyl)-2-[6-hydroxy-2,4-dimethoxy-3-(3-methylbut-2-enyl)phenyl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

372.1573 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.16458 189.3
[M+Na]+ 395.14652 200.8
[M+NH4]+ 390.19112 193.3
[M+K]+ 411.12046 196.3
[M-H]- 371.15002 190.0
[M+Na-2H]- 393.13197 192.3
[M]+ 372.15675 190.8
[M]- 372.15785 190.8
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.