CID 6443339

Desmethylxanthohumol

Structural Information

Molecular Formula

C₂₀H₂₀O₅

SMILES

CC(=CCC1=C(C(=C(C=C1O)O)C(=O)/C=C/C2=CC=C(C=C2)O)O)C

InChI

InChI=1S/C20H20O5/c1-12(2)3-9-15-17(23)11-18(24)19(20(15)25)16(22)10-6-13-4-7-14(21)8-5-13/h3-8,10-11,21,23-25H,9H2,1-2H3/b10-6+

InChIKey

FUSADYLVRMROPL-UXBLZVDNSA-N

Compound name

(E)-3-(4-hydroxyphenyl)-1-[2,4,6-trihydroxy-3-(3-methylbut-2-enyl)phenyl]prop-2-en-1-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 442
References: 84
Patents: 340.13107 Da
Monoisotopic Mass: 4.7
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]+	341.138346	179.8
[M+Na]+	363.120288	186.4
[M-H]-	339.123794	181.6
[M+NH4]+	358.164893	190.8
[M+K]+	379.094228	180.6
[M+H-H2O]+	323.128330	172.8
[M+HCOO]-	385.129271	195.5
[M+CH3COO]-	399.144921	205.4
[M+Na-2H]-	361.105736	177.0
[M]+	340.13052142	179.2
[M]-	340.13161858	179.2

Literature stripe

literature stripe

Patent stripe

patents stripe