CID 3052891

69382-13-4

Structural Information

Molecular Formula

C₁₃H₁₃FN₂O₂

SMILES

CCNC(=O)C1=C(OC(=N1)C2=CC(=CC=C2)F)C

InChI

InChI=1S/C13H13FN2O2/c1-3-15-12(17)11-8(2)18-13(16-11)9-5-4-6-10(14)7-9/h4-7H,3H2,1-2H3,(H,15,17)

InChIKey

XDOGKNJKYNWTGB-UHFFFAOYSA-N

Compound name

N-ethyl-2-(3-fluorophenyl)-5-methyl-1,3-oxazole-4-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 248.0961 Da
Monoisotopic Mass: 2.5
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]+	249.103376	154.3
[M+Na]+	271.085318	163.3
[M-H]-	247.088824	159.9
[M+NH4]+	266.129923	170.8
[M+K]+	287.059258	161.1
[M+H-H2O]+	231.093360	146.0
[M+HCOO]-	293.094301	177.2
[M+CH3COO]-	307.109951	196.0
[M+Na-2H]-	269.070766	157.6
[M]+	248.09555142	155.8
[M]-	248.09664858	155.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.