CID 1111702

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

Structural Information

Molecular Formula
C26H22O6
SMILES
COC1=CC(=CC(=C1OC)OC)/C=C/2\C=C(OC2=O)C3=CC=C(C=C3)OC4=CC=CC=C4
InChI
InChI=1S/C26H22O6/c1-28-23-14-17(15-24(29-2)25(23)30-3)13-19-16-22(32-26(19)27)18-9-11-21(12-10-18)31-20-7-5-4-6-8-20/h4-16H,1-3H3/b19-13+
InChIKey
UAZNQEKTYMCBSQ-CPNJWEJPSA-N
Compound name
(3E)-5-(4-phenoxyphenyl)-3-[(3,4,5-trimethoxyphenyl)methylidene]furan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

430.14163 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 431.14891 203.0
[M+Na]+ 453.13085 210.9
[M-H]- 429.13435 217.2
[M+NH4]+ 448.17545 212.7
[M+K]+ 469.10479 208.0
[M+H-H2O]+ 413.13889 192.8
[M+HCOO]- 475.13983 225.5
[M+CH3COO]- 489.15548 227.6
[M+Na-2H]- 451.11630 202.1
[M]+ 430.14108 209.9
[M]- 430.14218 209.9
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.