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]+ 247.10773 155.0
[M+Na]+ 269.08967 163.8
[M-H]- 245.09317 161.5
[M+NH4]+ 264.13427 171.3
[M+K]+ 285.06361 162.3
[M+H-H2O]+ 229.09771 147.5
[M+HCOO]- 291.09865 178.5
[M+CH3COO]- 305.11430 194.9
[M+Na-2H]- 267.07512 157.9
[M]+ 246.09990 158.0
[M]- 246.10100 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.