CID 5369557

2-phenyl-4-ethylidene-2-oxazolin-5-one

Structural Information

Molecular Formula
C11H9NO2
SMILES
C/C=C\1/C(=O)OC(=N1)C2=CC=CC=C2
InChI
InChI=1S/C11H9NO2/c1-2-9-11(13)14-10(12-9)8-6-4-3-5-7-8/h2-7H,1H3/b9-2-
InChIKey
HEGNHTODZSHTKS-MBXJOHMKSA-N
Compound name
(4Z)-4-ethylidene-2-phenyl-1,3-oxazol-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

187.06332 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.07060 137.4
[M+Na]+ 210.05254 146.9
[M-H]- 186.05604 143.9
[M+NH4]+ 205.09714 156.4
[M+K]+ 226.02648 144.8
[M+H-H2O]+ 170.06058 130.7
[M+HCOO]- 232.06152 160.8
[M+CH3COO]- 246.07717 179.8
[M+Na-2H]- 208.03799 143.0
[M]+ 187.06277 138.1
[M]- 187.06387 138.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe