Metosulam

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Systematic / IUPAC Name: N-(2,6-Dichloro-3-methylphenyl)-5,7-dimethoxy[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide

ID: Reference2327

Other Names: [1,2,4]Triazolo[1,5-a]pyrimidine-2-sulfonamide, N-(2,6-dichloro-3-methylphenyl)-5,7-dimethoxy-

Formula: C14H13Cl2N5O4S

Class: Pesticides/Herbicides

Spectral Data

Metosulam mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Orbitrap ID-X with ETD_Cal Gateshead ; Q Exactive Orbitrap; Q Exactive Plus Orbitrap
No. of Spectral Trees 4
No. of Spectra 3421
Tandem Spectra MS1, MS2, MS3, MS4, MS5, MS6
Ionization Methods ESI; NSI
Analyzers FT
Last Modification 2/24/2015 1:38:36 PM
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Identificators

InChI InChI=1S/C14H13Cl2N5O4S/c1-7-4-5-8(15)12(11(7)16)20-26(22,23)14-18-13-17-9(24-2)6-10(25-3)21(13)19-14/h4-6,20H,1-3H3
InChI Key VGHPMIFEKOFHHQ-UHFFFAOYSA-N
Canonical SMILES CC1=C(C(=C(C=C1)Cl)NS(=O)(=O)C2=NN3C(=CC(=NC3=N2)OC)OC)Cl
CAS 139528851
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Other Names [1,2,4]Triazolo[1,5-a]pyrimidine-2-sulfonamide, N-(2,6-dichloro-3-methylphenyl)-5,7-dimethoxy-

In Other Databases

ChEMBL CHEMBL2288020
HMDb HMDB34850
Wikipedia Metosulam (DE)
ChemIDPlus 139528851
PubChem 86422
ChemSpider 77938
KEGG C18867