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 186.9
[M+Na]+ 395.14652 193.8
[M-H]- 371.15002 190.2
[M+NH4]+ 390.19112 197.5
[M+K]+ 411.12046 190.2
[M+H-H2O]+ 355.15456 179.3
[M+HCOO]- 417.15550 203.8
[M+CH3COO]- 431.17115 215.5
[M+Na-2H]- 393.13197 183.6
[M]+ 372.15675 191.2
[M]- 372.15785 191.2
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

No patent data available for this compound.