CID 2756650

4-benzyl-2-phenyl-2-oxazolin-5-one

Structural Information

Molecular Formula
C16H13NO2
SMILES
C1=CC=C(C=C1)CC2C(=O)OC(=N2)C3=CC=CC=C3
InChI
InChI=1S/C16H13NO2/c18-16-14(11-12-7-3-1-4-8-12)17-15(19-16)13-9-5-2-6-10-13/h1-10,14H,11H2
InChIKey
RWJSXVNLBHUVDP-UHFFFAOYSA-N
Compound name
4-benzyl-2-phenyl-4H-1,3-oxazol-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

66
Patents

251.09464 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.101916 155.3
[M+Na]+ 274.083858 163.5
[M-H]- 250.087364 164.6
[M+NH4]+ 269.128463 171.1
[M+K]+ 290.057798 160.2
[M+H-H2O]+ 234.091900 146.8
[M+HCOO]- 296.092841 178.1
[M+CH3COO]- 310.108491 168.3
[M+Na-2H]- 272.069306 160.2
[M]+ 251.09409142 155.8
[M]- 251.09518858 155.8
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

patents stripe