CID 6476085

3'-(2-hydroxy-3-methylbut-3-enyl)-4,2',4'-trihydroxychalcone

Structural Information

Molecular Formula
C20H20O5
SMILES
CC(=C)C(CC1=C(C=CC(=C1O)C(=O)/C=C/C2=CC=C(C=C2)O)O)O
InChI
InChI=1S/C20H20O5/c1-12(2)19(24)11-16-18(23)10-8-15(20(16)25)17(22)9-5-13-3-6-14(21)7-4-13/h3-10,19,21,23-25H,1,11H2,2H3/b9-5+
InChIKey
INVPDHNCDPICSJ-WEVVVXLNSA-N
Compound name
(E)-1-[2,4-dihydroxy-3-(2-hydroxy-3-methylbut-3-enyl)phenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

0
Patents

340.13107 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.13835 179.6
[M+Na]+ 363.12029 184.9
[M-H]- 339.12379 181.0
[M+NH4]+ 358.16489 190.1
[M+K]+ 379.09423 179.6
[M+H-H2O]+ 323.12833 172.6
[M+HCOO]- 385.12927 194.3
[M+CH3COO]- 399.14492 205.7
[M+Na-2H]- 361.10574 176.3
[M]+ 340.13052 178.1
[M]- 340.13162 178.1
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.