Methyl (6S)-3-benzyl-5-(phenylsulfonyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxylate
12446
Reference
Methyl (6S)-3-benzyl-5-(phenylsulfonyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxylate Structure
Systematic / IUPAC Name: Methyl (6S)-5-(benzenesulfonyl)-3-benzyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylate
ID: Reference12446
Other Names: NAT22-372918
Formula: C21H21N3O4S
Spectral Data
Methyl (6S)-3-benzyl-5-(phenylsulfonyl)-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.
Available MS Data
| Used Instruments | Orbitrap Fusion Lumos with ETD LBP |
| No. of Spectral Trees | 1 |
| No. of Spectra | 2281 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 4/17/2023 10:31:06 AM |
Identificators
| InChI | InChI=1S/C21H21N3O4S/c1-28-21(25)19-12-18-20(23(15-22-18)13-16-8-4-2-5-9-16)14-24(19)29(26,27)17-10-6-3-7-11-17/h2-11,15,19H,12-14H2,1H3/t19-/m0/s1 |
| InChI Key | UULWNJGIUYMKNG-IBGZPJMESA-N |
| Canonical SMILES | COC(=O)C1CC2=C(CN1S(=O)(=O)C3=CC=CC=C3)N(C=N2)CC4=CC=CC=C4 |
| CAS | |
| Splash | |
| Other Names | NAT22-372918 |