CID 15160711

Ovalitenin b

Structural Information

Molecular Formula

C₁₉H₁₈O₄

SMILES

COC1=C(C=CC2=C1C=CO2)C(=O)CC(C3=CC=CC=C3)OC

InChI

InChI=1S/C19H18O4/c1-21-18(13-6-4-3-5-7-13)12-16(20)14-8-9-17-15(10-11-23-17)19(14)22-2/h3-11,18H,12H2,1-2H3

InChIKey

AADNEQWIZKTMBL-UHFFFAOYSA-N

Compound name

3-methoxy-1-(4-methoxy-1-benzofuran-5-yl)-3-phenylpropan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 310.1205 Da
Monoisotopic Mass: 3.3
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]+	311.127776	172.0
[M+Na]+	333.109718	179.9
[M-H]-	309.113224	180.7
[M+NH4]+	328.154323	187.9
[M+K]+	349.083658	178.0
[M+H-H2O]+	293.117760	164.5
[M+HCOO]-	355.118701	194.7
[M+CH3COO]-	369.134351	205.7
[M+Na-2H]-	331.095166	175.6
[M]+	310.11995142	178.8
[M]-	310.12104858	178.8

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.