CID 5357345

Heliannone a

Structural Information

Molecular Formula

C₁₇H₁₆O₅

SMILES

COC1=C(C(=C(C=C1)C(=O)/C=C/C2=CC=C(C=C2)O)O)OC

InChI

InChI=1S/C17H16O5/c1-21-15-10-8-13(16(20)17(15)22-2)14(19)9-5-11-3-6-12(18)7-4-11/h3-10,18,20H,1-2H3/b9-5+

InChIKey

RURQJVCNVGERHF-WEVVVXLNSA-N

Compound name

(E)-1-(2-hydroxy-3,4-dimethoxyphenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 1
References: 0
Patents: 300.09976 Da
Monoisotopic Mass: 3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	301.107036	166.8
[M+Na]+	323.088978	174.8
[M-H]-	299.092484	171.5
[M+NH4]+	318.133583	180.8
[M+K]+	339.062918	171.1
[M+H-H2O]+	283.097020	159.5
[M+HCOO]-	345.097961	187.6
[M+CH3COO]-	359.113611	199.9
[M+Na-2H]-	321.074426	168.5
[M]+	300.09921142	169.9
[M]-	300.10030858	169.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.