(1S,2S,3S,4R,5R)-4-(4-Methyl-1-piperazinyl)-2-[(4-pyridinylmethyl)amino]-6,8-dioxabicyclo[3.2.1]octan-3-ol
9491
Reference
(1S,2S,3S,4R,5R)-4-(4-Methyl-1-piperazinyl)-2-[(4-pyridinylmethyl)amino]-6,8-dioxabicyclo[3.2.1]octan-3-ol Structure
Systematic / IUPAC Name: (1S,2S,3S,4R,5R)-4-(4-Methylpiperazin-1-yl)-2-(pyridin-4-ylmethylamino)-6,8-dioxabicyclo[3.2.1]octan-3-ol
ID: Reference9491
Other Names: NAT17-347244
Formula: C17H26N4O3
Spectral Data
(1S,2S,3S,4R,5R)-4-(4-Methyl-1-piperazinyl)-2-[(4-pyridinylmethyl)amino]-6,8-dioxabicyclo[3.2.1]octan-3-ol 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 | 814 |
| Tandem Spectra | MS1, MS2, MS3, MS4, MS5 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 3/16/2020 1:06:55 PM |
Identificators
| InChI | InChI=1S/C17H26N4O3/c1-20-6-8-21(9-7-20)15-16(22)14(13-11-23-17(15)24-13)19-10-12-2-4-18-5-3-12/h2-5,13-17,19,22H,6-11H2,1H3/t13-,14-,15-,16+,17-/m1/s1 |
| InChI Key | UKJHHENOBNGWLQ-OVYGPGRDSA-N |
| Canonical SMILES | CN1CCN(CC1)C2C(C(C3COC2O3)NCC4=CC=NC=C4)O |
| CAS | |
| Splash | |
| Other Names | NAT17-347244 |