CID 45054405

763109-08-6

Structural Information

Molecular Formula
C13H14N2O3
SMILES
CCOC(=O)C1=NOC(=C1C2=CC=C(C=C2)C)N
InChI
InChI=1S/C13H14N2O3/c1-3-17-13(16)11-10(12(14)18-15-11)9-6-4-8(2)5-7-9/h4-7H,3,14H2,1-2H3
InChIKey
VLYTXOQHICAAGB-UHFFFAOYSA-N
Compound name
ethyl 5-amino-4-(4-methylphenyl)-1,2-oxazole-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

246.10045 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.107726 155.0
[M+Na]+ 269.089668 163.8
[M-H]- 245.093174 161.5
[M+NH4]+ 264.134273 171.3
[M+K]+ 285.063608 162.3
[M+H-H2O]+ 229.097710 147.5
[M+HCOO]- 291.098651 178.5
[M+CH3COO]- 305.114301 194.9
[M+Na-2H]- 267.075116 157.9
[M]+ 246.09990142 158.0
[M]- 246.10099858 158.0
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.