CID 5277448

(3e)-5-(4-phenoxyphenyl)-3-[(e)-3-phenylprop-2-enylidene]furan-2-one

Structural Information

Molecular Formula
C25H18O3
SMILES
C1=CC=C(C=C1)/C=C/C=C/2\C=C(OC2=O)C3=CC=C(C=C3)OC4=CC=CC=C4
InChI
InChI=1S/C25H18O3/c26-25-21(11-7-10-19-8-3-1-4-9-19)18-24(28-25)20-14-16-23(17-15-20)27-22-12-5-2-6-13-22/h1-18H/b10-7+,21-11+
InChIKey
DPFGIEWNYSBKRS-WDECGGBJSA-N
Compound name
(3E)-5-(4-phenoxyphenyl)-3-[(E)-3-phenylprop-2-enylidene]furan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

366.12558 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.13286 189.2
[M+Na]+ 389.11480 196.2
[M-H]- 365.11830 202.4
[M+NH4]+ 384.15940 201.1
[M+K]+ 405.08874 190.2
[M+H-H2O]+ 349.12284 179.5
[M+HCOO]- 411.12378 211.9
[M+CH3COO]- 425.13943 200.0
[M+Na-2H]- 387.10025 190.4
[M]+ 366.12503 189.6
[M]- 366.12613 189.6
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.