CID 42607608

4,2',6'-trihydroxy-4'-prenyloxychalcone

Structural Information

Molecular Formula
C20H20O5
SMILES
CC(=CCOC1=CC(=C(C(=C1)O)C(=O)/C=C/C2=CC=C(C=C2)O)O)C
InChI
InChI=1S/C20H20O5/c1-13(2)9-10-25-16-11-18(23)20(19(24)12-16)17(22)8-5-14-3-6-15(21)7-4-14/h3-9,11-12,21,23-24H,10H2,1-2H3/b8-5+
InChIKey
BILMOTALDYGIKT-VMPITWQZSA-N
Compound name
(E)-1-[2,6-dihydroxy-4-(3-methylbut-2-enoxy)phenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

340.13107 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.13835 179.8
[M+Na]+ 363.12029 186.0
[M-H]- 339.12379 182.6
[M+NH4]+ 358.16489 191.2
[M+K]+ 379.09423 180.8
[M+H-H2O]+ 323.12833 172.3
[M+HCOO]- 385.12927 197.1
[M+CH3COO]- 399.14492 206.2
[M+Na-2H]- 361.10574 178.1
[M]+ 340.13052 180.6
[M]- 340.13162 180.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.