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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.13835 195.8
[M+Na]+ 423.12029 203.6
[M-H]- 399.12379 209.8
[M+NH4]+ 418.16489 206.6
[M+K]+ 439.09423 199.9
[M+H-H2O]+ 383.12833 185.9
[M+HCOO]- 445.12927 218.5
[M+CH3COO]- 459.14492 221.3
[M+Na-2H]- 421.10574 195.9
[M]+ 400.13052 200.6
[M]- 400.13162 200.6
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

No patent data available for this compound.