Methyl (6S)-3-isopropyl-5-(methylsulfonyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxylate

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Systematic / IUPAC Name: Methyl (6S)-5-methylsulfonyl-3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylate

ID: Reference9222

Other Names: 3H-Imidazo[4,5-c]pyridine-6-carboxylic acid, 4,5,6,7-tetrahydro-3-(1-methylethyl)-5-(methylsulfonyl)-, methyl ester, (6S)-;
NAT22-373643

Formula: C12H19N3O4S

Spectral Data

Methyl (6S)-3-isopropyl-5-(methylsulfonyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxylate 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 Fusion Lumos with ETD LBP FAIMS
No. of Spectral Trees 1
No. of Spectra 1370
Tandem Spectra MS1, MS2, MS3, MS4, MS5
Ionization Methods NSI
Analyzers FT
Last Modification 12/16/2019 9:15:17 AM
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Identificators

InChI InChI=1S/C12H19N3O4S/c1-8(2)14-7-13-9-5-10(12(16)19-3)15(6-11(9)14)20(4,17)18/h7-8,10H,5-6H2,1-4H3/t10-/m0/s1
InChI Key NCQLHKRJBRUAFL-JTQLQIEISA-N
Canonical SMILES CC(C)N1C=NC2=C1CN(C(C2)C(=O)OC)S(=O)(=O)C
CAS
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Other Names 3H-Imidazo[4,5-c]pyridine-6-carboxylic acid, 4,5,6,7-tetrahydro-3-(1-methylethyl)-5-(methylsulfonyl)-, methyl ester, (6S)-;
NAT22-373643

In Other Databases

ChemSpider 21388434
PubChem 25338993