CID 1111704

(3e)-3-(3,4-dimethoxybenzylidene)-5-(4-phenoxyphenyl)-2(3h)-furanone

Structural Information

Molecular Formula

C₂₅H₂₀O₅

SMILES

COC1=C(C=C(C=C1)/C=C/2\C=C(OC2=O)C3=CC=C(C=C3)OC4=CC=CC=C4)OC

InChI

InChI=1S/C25H20O5/c1-27-22-13-8-17(15-24(22)28-2)14-19-16-23(30-25(19)26)18-9-11-21(12-10-18)29-20-6-4-3-5-7-20/h3-16H,1-2H3/b19-14+

InChIKey

CIHLXFLGWWGIDV-XMHGGMMESA-N

Compound name

(3E)-3-[(3,4-dimethoxyphenyl)methylidene]-5-(4-phenoxyphenyl)furan-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 400.13107 Da
Monoisotopic Mass: 5.5
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]+	401.138346	195.8
[M+Na]+	423.120288	203.6
[M-H]-	399.123794	209.8
[M+NH4]+	418.164893	206.6
[M+K]+	439.094228	199.9
[M+H-H2O]+	383.128330	185.9
[M+HCOO]-	445.129271	218.5
[M+CH3COO]-	459.144921	221.3
[M+Na-2H]-	421.105736	195.9
[M]+	400.13052142	200.6
[M]-	400.13161858	200.6

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.