(3R,4S,6R)-N-(2-Furylmethyl)-6-({4-[(phenylsulfanyl)methyl]-1H-1,2,3-triazol-1-yl}methyl)quinuclidine-3-carboxamide
10460
Reference
(3R,4S,6R)-N-(2-Furylmethyl)-6-({4-[(phenylsulfanyl)methyl]-1H-1,2,3-triazol-1-yl}methyl)quinuclidine-3-carboxamide Structure
Systematic / IUPAC Name: (3R,4S,6R)-N-(Furan-2-ylmethyl)-6-[[4-(phenylsulfanylmethyl)triazol-1-yl]methyl]-1-azabicyclo[2.2.2]octane-3-carboxamide
ID: Reference10460
Other Names: NAT13-329030
Formula: C23H27N5O2S
Spectral Data
(3R,4S,6R)-N-(2-Furylmethyl)-6-({4-[(phenylsulfanyl)methyl]-1H-1,2,3-triazol-1-yl}methyl)quinuclidine-3-carboxamide 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 | 2 |
| No. of Spectra | 3400 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 5/14/2021 9:34:59 AM |
Identificators
| InChI | InChI=1S/C23H27N5O2S/c29-23(24-12-20-5-4-10-30-20)22-15-27-9-8-17(22)11-19(27)14-28-13-18(25-26-28)16-31-21-6-2-1-3-7-21/h1-7,10,13,17,19,22H,8-9,11-12,14-16H2,(H,24,29)/t17-,19+,22-/m0/s1 |
| InChI Key | DSGMFMYGPAPRFK-KPLVRAHFSA-N |
| Canonical SMILES | C1CN2CC(C1CC2CN3C=C(N=N3)CSC4=CC=CC=C4)C(=O)NCC5=CC=CO5 |
| CAS | |
| Splash | |
| Other Names | NAT13-329030 |