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

4
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

literature stripe

Patent stripe

patents stripe