CJ-013610

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Systematic / IUPAC Name: 4-(3-{[4-(2-Methyl-1H-imidazol-1-yl)phenyl]sulfanyl}phenyl)tetrahydro-2H-pyran-4-carboxamide

ID: Reference3143

Other Names: CJ13610;
2H-Pyran-4-carboxamide,tetrahydro-4-(3-{[4-(2-methyl-1H-imidazol-1-yl)phenyl]thio}phenyl)- ;
4-(3-{[4-(2-Methyl-1H-imidazol-1-yl)phenyl]sulfanyl}phenyl)tetrahydro-2H-pyran-4-carboxamide ;
4-(3-{[4-(2-Methyl-1H-imidazol-1-yl)phenyl]sulfanyl}phenyl)oxane-4-carboxamide;
4-{3-[4-(2-Methyl-imidazol-1-yl)-phenylsulfanyl]-phenyl}-tetrahydro-pyran-4-carboxylic acid amide

Formula: C22H23N3O2S

Spectral Data

CJ-013610 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 Q Exactive Orbitrap
No. of Spectral Trees 2
No. of Spectra 340
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 10/21/2015 10:08:12 AM
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Identificators

InChI InChI=1S/C22H23N3O2S/c1-16-24-11-12-25(16)18-5-7-19(8-6-18)28-20-4-2-3-17(15-20)22(21(23)26)9-13-27-14-10-22/h2-8,11-12,15H,9-10,13-14H2,1H3,(H2,23,26)
InChI Key VPTONMHDLLMOOV-UHFFFAOYSA-N
Canonical SMILES CC1=NC=CN1C2=CC=C(C=C2)SC3=CC=CC(=C3)C4(CCOCC4)C(=O)N
CAS 179420178
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Other Names CJ13610;
2H-Pyran-4-carboxamide,tetrahydro-4-(3-{[4-(2-methyl-1H-imidazol-1-yl)phenyl]thio}phenyl)- ;
4-(3-{[4-(2-Methyl-1H-imidazol-1-yl)phenyl]sulfanyl}phenyl)tetrahydro-2H-pyran-4-carboxamide ;
4-(3-{[4-(2-Methyl-1H-imidazol-1-yl)phenyl]sulfanyl}phenyl)oxane-4-carboxamide;
4-{3-[4-(2-Methyl-imidazol-1-yl)-phenylsulfanyl]-phenyl}-tetrahydro-pyran-4-carboxylic acid amide

In Other Databases

ChEMBL CHEMBL195309
ChemSpider 7997694
PubChem 9821945