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]+ 325.143446 176.8
[M+Na]+ 347.125388 183.3
[M-H]- 323.128894 179.7
[M+NH4]+ 342.169993 189.1
[M+K]+ 363.099328 177.4
[M+H-H2O]+ 307.133430 169.7
[M+HCOO]- 369.134371 194.0
[M+CH3COO]- 383.150021 203.9
[M+Na-2H]- 345.110836 175.1
[M]+ 324.13562142 176.3
[M]- 324.13671858 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.