CID 6376727

Nsc659111

Structural Information

Molecular Formula
C19H15NO2
SMILES
C/C(=C\C1=CC=CC=C1)/C=C\2/C(=O)OC(=N2)C3=CC=CC=C3
InChI
InChI=1S/C19H15NO2/c1-14(12-15-8-4-2-5-9-15)13-17-19(21)22-18(20-17)16-10-6-3-7-11-16/h2-13H,1H3/b14-12+,17-13-
InChIKey
UVKZWZBCYDRXJB-PZAFVPBJSA-N
Compound name
(4Z)-4-[(E)-2-methyl-3-phenylprop-2-enylidene]-2-phenyl-1,3-oxazol-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

289.1103 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.11758 168.2
[M+Na]+ 312.09952 175.5
[M-H]- 288.10302 177.2
[M+NH4]+ 307.14412 182.3
[M+K]+ 328.07346 170.8
[M+H-H2O]+ 272.10756 159.4
[M+HCOO]- 334.10850 189.4
[M+CH3COO]- 348.12415 179.8
[M+Na-2H]- 310.08497 170.2
[M]+ 289.10975 167.5
[M]- 289.11085 167.5
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.