N-(6-Chloro-1,3-benzothiazol-2-yl)-3,5-dimethyl-4-isoxazolecarboxamide

enlarge

Systematic / IUPAC Name: N-(6-Chloro-1,3-benzothiazol-2-yl)-3,5-dimethyl-1,2-oxazole-4-carboxamide

ID: Reference6525

Other Names: (3,5-Dimethylisoxazol-4-yl)-N-(6-chlorobenzothiazol-2-yl)carboxamide;
4-Isoxazolecarboxamide, N-(6-chloro-2-benzothiazolyl)-3,5-dimethyl-

Formula: C13H10ClN3O2S

Spectral Data

N-(6-Chloro-1,3-benzothiazol-2-yl)-3,5-dimethyl-4-isoxazolecarboxamide 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
No. of Spectral Trees 1
No. of Spectra 827
Tandem Spectra MS1, MS2, MS3, MS4, MS5
Ionization Methods NSI
Analyzers IT; FT
Last Modification 3/31/2017 8:23:15 AM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C13H10ClN3O2S/c1-6-11(7(2)19-17-6)12(18)16-13-15-9-4-3-8(14)5-10(9)20-13/h3-5H,1-2H3,(H,15,16,18)
InChI Key FEKIERSZUXSGNB-UHFFFAOYSA-N
Canonical SMILES CC1=C(C(=NO1)C)C(=O)NC2=NC3=C(S2)C=C(C=C3)Cl
CAS
Splash
Other Names (3,5-Dimethylisoxazol-4-yl)-N-(6-chlorobenzothiazol-2-yl)carboxamide;
4-Isoxazolecarboxamide, N-(6-chloro-2-benzothiazolyl)-3,5-dimethyl-

In Other Databases

PubChem 2814505
ChemSpider 2092894
ChEMBL CHEMBL1299411