CID 10688914

Hamilcone

Structural Information

Molecular Formula

C₁₈H₁₈O₇

SMILES

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

InChI

InChI=1S/C18H18O7/c1-23-15-9-14(22)16(18(25-3)17(15)24-2)12(20)7-5-10-4-6-11(19)13(21)8-10/h4-9,19,21-22H,1-3H3/b7-5+

InChIKey

ZORDSTUSHFTNGS-FNORWQNLSA-N

Compound name

(E)-3-(3,4-dihydroxyphenyl)-1-(6-hydroxy-2,3,4-trimethoxyphenyl)prop-2-en-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 346.10526 Da
Monoisotopic Mass: 3.1
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]+	347.112536	176.3
[M+Na]+	369.094478	184.5
[M-H]-	345.097984	180.0
[M+NH4]+	364.139083	187.9
[M+K]+	385.068418	181.6
[M+H-H2O]+	329.102520	168.7
[M+HCOO]-	391.103461	195.3
[M+CH3COO]-	405.119111	208.0
[M+Na-2H]-	367.079926	175.8
[M]+	346.10471142	181.6
[M]-	346.10580858	181.6

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.