CID 520919

2-(3-methoxyphenyl)-5-phenyloxazole

Structural Information

Molecular Formula
C16H13NO2
SMILES
COC1=CC=CC(=C1)C2=NC=C(O2)C3=CC=CC=C3
InChI
InChI=1S/C16H13NO2/c1-18-14-9-5-8-13(10-14)16-17-11-15(19-16)12-6-3-2-4-7-12/h2-11H,1H3
InChIKey
NWCFKCRZJQLJDJ-UHFFFAOYSA-N
Compound name
2-(3-methoxyphenyl)-5-phenyl-1,3-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

4
Patents

251.09464 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.101916 154.9
[M+Na]+ 274.083858 163.9
[M-H]- 250.087364 164.6
[M+NH4]+ 269.128463 170.9
[M+K]+ 290.057798 161.0
[M+H-H2O]+ 234.091900 146.4
[M+HCOO]- 296.092841 179.0
[M+CH3COO]- 310.108491 168.4
[M+Na-2H]- 272.069306 160.8
[M]+ 251.09409142 157.6
[M]- 251.09518858 157.6
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