(3R,4S,6R)-6-[[4-(Phenylsulfanylmethyl)triazol-1-yl]methyl]-N-(1,3-thiazol-2-yl)-1-azabicyclo[2.2.2]octane-3-carboxamide
8877
Reference
(3R,4S,6R)-6-[[4-(Phenylsulfanylmethyl)triazol-1-yl]methyl]-N-(1,3-thiazol-2-yl)-1-azabicyclo[2.2.2]octane-3-carboxamide Structure
Systematic / IUPAC Name: (3R,4S,6R)-6-[[4-(Phenylsulfanylmethyl)triazol-1-yl]methyl]-N-(1,3-thiazol-2-yl)-1-azabicyclo[2.2.2]octane-3-carboxamide
ID: Reference8877
Other Names: NAT13-329153
Formula: C21H24N6OS2
Spectral Data
(3R,4S,6R)-6-[[4-(Phenylsulfanylmethyl)triazol-1-yl]methyl]-N-(1,3-thiazol-2-yl)-1-azabicyclo[2.2.2]octane-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 FAIMS |
| No. of Spectral Trees | 1 |
| No. of Spectra | 934 |
| Tandem Spectra | MS1, MS2, MS3 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 8/22/2019 8:23:03 AM |
Identificators
| InChI | InChI=1S/C21H24N6OS2/c28-20(23-21-22-7-9-29-21)19-13-26-8-6-15(19)10-17(26)12-27-11-16(24-25-27)14-30-18-4-2-1-3-5-18/h1-5,7,9,11,15,17,19H,6,8,10,12-14H2,(H,22,23,28)/t15-,17+,19-/m0/s1 |
| InChI Key | FNHJUFTULTXEML-IYSUZNMVSA-N |
| Canonical SMILES | C1CN2CC(C1CC2CN3C=C(N=N3)CSC4=CC=CC=C4)C(=O)NC5=NC=CS5 |
| CAS | |
| Splash | |
| Other Names | NAT13-329153 |