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

161
Patents

340.13107 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.13835 179.8
[M+Na]+ 363.12029 186.4
[M-H]- 339.12379 181.6
[M+NH4]+ 358.16489 190.8
[M+K]+ 379.09423 180.6
[M+H-H2O]+ 323.12833 172.8
[M+HCOO]- 385.12927 195.5
[M+CH3COO]- 399.14492 205.4
[M+Na-2H]- 361.10574 177.0
[M]+ 340.13052 179.2
[M]- 340.13162 179.2
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

patents stripe