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]+ 238.08626 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.