CID 214835

Brn 1214863

Structural Information

Molecular Formula
C15H11NO2
SMILES
C1=CC=C(C=C1)C2=CC=C(C=C2)C3=COC(=O)N3
InChI
InChI=1S/C15H11NO2/c17-15-16-14(10-18-15)13-8-6-12(7-9-13)11-4-2-1-3-5-11/h1-10H,(H,16,17)
InChIKey
UOILOTSWEPDXKA-UHFFFAOYSA-N
Compound name
4-(4-phenylphenyl)-3H-1,3-oxazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

237.07898 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.086256 150.1
[M+Na]+ 260.068198 159.4
[M-H]- 236.071704 158.6
[M+NH4]+ 255.112803 165.9
[M+K]+ 276.042138 155.2
[M+H-H2O]+ 220.076240 142.2
[M+HCOO]- 282.077181 173.2
[M+CH3COO]- 296.092831 163.4
[M+Na-2H]- 258.053646 156.1
[M]+ 237.07843142 149.9
[M]- 237.07952858 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.