CID 19768737

127919-68-0

Structural Information

Molecular Formula

C₁₂H₁₁FN₂O₃

SMILES

CCOC(=O)C1=NOC(=C1C2=CC=C(C=C2)F)N

InChI

InChI=1S/C12H11FN2O3/c1-2-17-12(16)10-9(11(14)18-15-10)7-3-5-8(13)6-4-7/h3-6H,2,14H2,1H3

InChIKey

AEZZMQHPJAMZDY-UHFFFAOYSA-N

Compound name

ethyl 5-amino-4-(4-fluorophenyl)-1,2-oxazole-3-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 250.07536 Da
Monoisotopic Mass: 2.3
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]+	251.082636	152.9
[M+Na]+	273.064578	162.2
[M-H]-	249.068084	158.2
[M+NH4]+	268.109183	168.9
[M+K]+	289.038518	160.4
[M+H-H2O]+	233.072620	144.6
[M+HCOO]-	295.073561	175.8
[M+CH3COO]-	309.089211	194.6
[M+Na-2H]-	271.050026	155.8
[M]+	250.07481142	154.5
[M]-	250.07590858	154.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe