CID 2756650

5874-61-3

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

60
Patents

251.09464 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.10192 156.5
[M+Na]+ 274.08386 172.2
[M+NH4]+ 269.12846 165.4
[M+K]+ 290.05780 165.9
[M-H]- 250.08736 163.7
[M+Na-2H]- 272.06931 166.7
[M]+ 251.09409 160.9
[M]- 251.09519 160.9
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