CID 11992148

Desmethylisoxanthohumol

Structural Information

Molecular Formula
C20H20O4
SMILES
CC(=CCC1=C(C(=C(C=C1O)O)C(=O)/C=C/C2=CC=CC=C2)O)C
InChI
InChI=1S/C20H20O4/c1-13(2)8-10-15-17(22)12-18(23)19(20(15)24)16(21)11-9-14-6-4-3-5-7-14/h3-9,11-12,22-24H,10H2,1-2H3/b11-9+
InChIKey
HDFDQMFITYCMDM-PKNBQFBNSA-N
Compound name
(E)-3-phenyl-1-[2,4,6-trihydroxy-3-(3-methylbut-2-enyl)phenyl]prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

324.13617 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.14345 176.8
[M+Na]+ 347.12539 183.3
[M-H]- 323.12889 179.7
[M+NH4]+ 342.16999 189.1
[M+K]+ 363.09933 177.4
[M+H-H2O]+ 307.13343 169.7
[M+HCOO]- 369.13437 194.0
[M+CH3COO]- 383.15002 203.9
[M+Na-2H]- 345.11084 175.1
[M]+ 324.13562 176.3
[M]- 324.13672 176.3
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.