5-Methyl-N'-({[3-(trifluoromethyl)anilino]carbonyl}oxy)isoxazole-3-carboximidamide

enlarge

Systematic / IUPAC Name: 5-Methyl-N'-({[3-(trifluoromethyl)phenyl]carbamoyl}oxy)-1,2-oxazole-3-carboximidamide

ID: Reference3620

Other Names: 3-Isoxazolecarboximidamide, 5-methyl-N'-[({[3-(trifluoromethyl)phenyl]amino}carbonyl)oxy]-

Formula: C13H11F3N4O3

Spectral Data

5-Methyl-N'-({[3-(trifluoromethyl)anilino]carbonyl}oxy)isoxazole-3-carboximidamide mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

View Mass Spectra

Available MS Data

Used Instruments Orbitrap Elite; Q Exactive Orbitrap
No. of Spectral Trees 3
No. of Spectra 919
Tandem Spectra MS1, MS2, MS3, MS4, MS5
Ionization Methods ESI; NSI
Analyzers IT; FT
Last Modification 1/15/2016 12:28:07 PM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C13H11F3N4O3/c1-7-5-10(19-22-7)11(17)20-23-12(21)18-9-4-2-3-8(6-9)13(14,15)16/h2-6H,1H3,(H2,17,20)(H,18,21)
InChI Key WYNIQCWRUUBCBD-UHFFFAOYSA-N
Canonical SMILES CC1=CC(=NO1)C(=NOC(=O)NC2=CC=CC(=C2)C(F)(F)F)N
CAS
Splash
Other Names 3-Isoxazolecarboximidamide, 5-methyl-N'-[({[3-(trifluoromethyl)phenyl]amino}carbonyl)oxy]-

In Other Databases

ChEMBL CHEMBL1572604
ChemSpider 2026615
PubChem 9580959; 5704123