CID 3071924

Brn 5853003

Structural Information

Molecular Formula

C₁₃H₁₃FN₂O₂

SMILES

CC1=C(C(=CC=C1)C)NC(=O)C2=NOC(=C2)CF

InChI

InChI=1S/C13H13FN2O2/c1-8-4-3-5-9(2)12(8)15-13(17)11-6-10(7-14)18-16-11/h3-6H,7H2,1-2H3,(H,15,17)

InChIKey

FOBVPHBKEWUUDT-UHFFFAOYSA-N

Compound name

N-(2,6-dimethylphenyl)-5-(fluoromethyl)-1,2-oxazole-3-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 248.0961 Da
Monoisotopic Mass: 2.4
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

patents stripe