CID 28483

17335-06-7

Structural Information

Molecular Formula
C14H13NO4
SMILES
CCOC(=O)C1=NOC(=C1C(=O)C2=CC=CC=C2)C
InChI
InChI=1S/C14H13NO4/c1-3-18-14(17)12-11(9(2)19-15-12)13(16)10-7-5-4-6-8-10/h4-8H,3H2,1-2H3
InChIKey
MIRRVOUGVODFOY-UHFFFAOYSA-N
Compound name
ethyl 4-benzoyl-5-methyl-1,2-oxazole-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

259.08447 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.091746 156.4
[M+Na]+ 282.073688 164.7
[M-H]- 258.077194 163.1
[M+NH4]+ 277.118293 172.2
[M+K]+ 298.047628 163.9
[M+H-H2O]+ 242.081730 149.0
[M+HCOO]- 304.082671 178.6
[M+CH3COO]- 318.098321 194.5
[M+Na-2H]- 280.059136 159.0
[M]+ 259.08392142 161.2
[M]- 259.08501858 161.2
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