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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	373.164576	186.9
[M+Na]+	395.146518	193.8
[M-H]-	371.150024	190.2
[M+NH4]+	390.191123	197.5
[M+K]+	411.120458	190.2
[M+H-H2O]+	355.154560	179.3
[M+HCOO]-	417.155501	203.8
[M+CH3COO]-	431.171151	215.5
[M+Na-2H]-	393.131966	183.6
[M]+	372.15675142	191.2
[M]-	372.15784858	191.2

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.