CID 141165980

Ethyl 4-phenyl-1,3-oxazole-2-carboxylate

Structural Information

Molecular Formula
C12H11NO3
SMILES
CCOC(=O)C1=NC(=CO1)C2=CC=CC=C2
InChI
InChI=1S/C12H11NO3/c1-2-15-12(14)11-13-10(8-16-11)9-6-4-3-5-7-9/h3-8H,2H2,1H3
InChIKey
OWYOKMASZJAXFG-UHFFFAOYSA-N
Compound name
ethyl 4-phenyl-1,3-oxazole-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

217.0739 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.08118 146.2
[M+Na]+ 240.06312 159.4
[M+NH4]+ 235.10772 153.8
[M+K]+ 256.03706 155.5
[M-H]- 216.06662 150.0
[M+Na-2H]- 238.04857 153.5
[M]+ 217.07335 149.0
[M]- 217.07445 149.0
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.