CID 11099375

Licoagrochalcone a

Structural Information

Molecular Formula
C20H20O4
SMILES
CC(=CCC1=C(C=CC(=C1)/C=C/C(=O)C2=C(C=C(C=C2)O)O)O)C
InChI
InChI=1S/C20H20O4/c1-13(2)3-6-15-11-14(4-9-18(15)22)5-10-19(23)17-8-7-16(21)12-20(17)24/h3-5,7-12,21-22,24H,6H2,1-2H3/b10-5+
InChIKey
TVUGLERLRIQATC-BJMVGYQFSA-N
Compound name
(E)-1-(2,4-dihydroxyphenyl)-3-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

10
References

37
Patents

324.13617 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.14345 176.8
[M+Na]+ 347.12539 183.3
[M-H]- 323.12889 179.7
[M+NH4]+ 342.16999 189.1
[M+K]+ 363.09933 177.4
[M+H-H2O]+ 307.13343 169.7
[M+HCOO]- 369.13437 194.0
[M+CH3COO]- 383.15002 203.9
[M+Na-2H]- 345.11084 175.1
[M]+ 324.13562 176.3
[M]- 324.13672 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

patents stripe