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]+ 279.112806 163.2
[M+Na]+ 301.094748 170.4
[M-H]- 277.098254 172.3
[M+NH4]+ 296.139353 177.5
[M+K]+ 317.068688 166.1
[M+H-H2O]+ 261.102790 154.1
[M+HCOO]- 323.103731 186.9
[M+CH3COO]- 337.119381 175.2
[M+Na-2H]- 299.080196 168.1
[M]+ 278.10498142 162.6
[M]- 278.10607858 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.