CID 5279954

N-(4-fluoro-3-methylphenyl)-3,5-dimethylisoxazole-4-carboxamide

Structural Information

Molecular Formula
C13H13FN2O2
SMILES
CC1=C(C=CC(=C1)NC(=O)C2=C(ON=C2C)C)F
InChI
InChI=1S/C13H13FN2O2/c1-7-6-10(4-5-11(7)14)15-13(17)12-8(2)16-18-9(12)3/h4-6H,1-3H3,(H,15,17)
InChIKey
UEVIHGSFNDDPSN-UHFFFAOYSA-N
Compound name
N-(4-fluoro-3-methylphenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

248.0961 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.10338 154.2
[M+Na]+ 271.08532 164.2
[M-H]- 247.08882 160.2
[M+NH4]+ 266.12992 171.0
[M+K]+ 287.05926 161.9
[M+H-H2O]+ 231.09336 146.2
[M+HCOO]- 293.09430 177.1
[M+CH3COO]- 307.10995 197.3
[M+Na-2H]- 269.07077 156.8
[M]+ 248.09555 156.1
[M]- 248.09665 156.1
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.