CID 103242

5(4h)-isoxazolone, 3-phenyl-4-[2-(phenylamino)ethenyl]-

Structural Information

Molecular Formula
C17H14N2O2
SMILES
C1=CC=C(C=C1)C2=NOC(=O)C2C=CNC3=CC=CC=C3
InChI
InChI=1S/C17H14N2O2/c20-17-15(11-12-18-14-9-5-2-6-10-14)16(19-21-17)13-7-3-1-4-8-13/h1-12,15,18H
InChIKey
CNISSDIVKZCLAZ-UHFFFAOYSA-N
Compound name
4-(2-anilinoethenyl)-3-phenyl-4H-1,2-oxazol-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

278.10553 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.11281 163.2
[M+Na]+ 301.09475 170.4
[M-H]- 277.09825 172.3
[M+NH4]+ 296.13935 177.5
[M+K]+ 317.06869 166.1
[M+H-H2O]+ 261.10279 154.1
[M+HCOO]- 323.10373 186.9
[M+CH3COO]- 337.11938 175.2
[M+Na-2H]- 299.08020 168.1
[M]+ 278.10498 162.6
[M]- 278.10608 162.6
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

No patent data available for this compound.