CID 2758797

391248-21-8

Structural Information

Molecular Formula

C₁₂H₁₂N₂O₃

SMILES

CCOC(=O)C1=COC(=N1)C2=CC=C(C=C2)N

InChI

InChI=1S/C12H12N2O3/c1-2-16-12(15)10-7-17-11(14-10)8-3-5-9(13)6-4-8/h3-7H,2,13H2,1H3

InChIKey

YQVSEWFNEJKQNV-UHFFFAOYSA-N

Compound name

ethyl 2-(4-aminophenyl)-1,3-oxazole-4-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 232.0848 Da
Monoisotopic Mass: 1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	233.092076	150.2
[M+Na]+	255.074018	158.6
[M-H]-	231.077524	156.5
[M+NH4]+	250.118623	166.8
[M+K]+	271.047958	157.3
[M+H-H2O]+	215.082060	142.7
[M+HCOO]-	277.083001	174.1
[M+CH3COO]-	291.098651	190.7
[M+Na-2H]-	253.059466	154.4
[M]+	232.08425142	152.5
[M]-	232.08534858	152.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe