CID 151245

5014-83-5

Structural Information

Molecular Formula
C15H11NO2
SMILES
C1=CC=C(C=C1)C2=C(OC(=O)N2)C3=CC=CC=C3
InChI
InChI=1S/C15H11NO2/c17-15-16-13(11-7-3-1-4-8-11)14(18-15)12-9-5-2-6-10-12/h1-10H,(H,16,17)
InChIKey
LDPBTGBWTUWCBU-UHFFFAOYSA-N
Compound name
4,5-diphenyl-3H-1,3-oxazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

1426
Patents

237.07898 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.08626 150.1
[M+Na]+ 260.06820 159.4
[M-H]- 236.07170 158.6
[M+NH4]+ 255.11280 165.9
[M+K]+ 276.04214 155.2
[M+H-H2O]+ 220.07624 142.2
[M+HCOO]- 282.07718 173.2
[M+CH3COO]- 296.09283 163.4
[M+Na-2H]- 258.05365 156.1
[M]+ 237.07843 149.9
[M]- 237.07953 149.9
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