CID 690059

66404-26-0

Structural Information

Molecular Formula
C22H15NO2
SMILES
C1=CC=C(C=C1)C2=CC=C(C=C2)/C=C/3\C(=O)OC(=N3)C4=CC=CC=C4
InChI
InChI=1S/C22H15NO2/c24-22-20(23-21(25-22)19-9-5-2-6-10-19)15-16-11-13-18(14-12-16)17-7-3-1-4-8-17/h1-15H/b20-15+
InChIKey
ZDMSZLZFVXBKDU-HMMYKYKNSA-N
Compound name
(4E)-2-phenyl-4-[(4-phenylphenyl)methylidene]-1,3-oxazol-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

325.1103 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.11758 177.2
[M+Na]+ 348.09952 185.3
[M-H]- 324.10302 189.4
[M+NH4]+ 343.14412 189.4
[M+K]+ 364.07346 179.5
[M+H-H2O]+ 308.10756 167.1
[M+HCOO]- 370.10850 199.2
[M+CH3COO]- 384.12415 188.6
[M+Na-2H]- 346.08497 179.9
[M]+ 325.10975 176.5
[M]- 325.11085 176.5
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.