(1S,2S,3S,4R,5R)-4-[4-(2-Methoxyphenyl)-1-piperazinyl]-2-[(2-pyridinylmethyl)amino]-6,8-dioxabicyclo[3.2.1]octan-3-ol
11223
Reference
(1S,2S,3S,4R,5R)-4-[4-(2-Methoxyphenyl)-1-piperazinyl]-2-[(2-pyridinylmethyl)amino]-6,8-dioxabicyclo[3.2.1]octan-3-ol Structure
Systematic / IUPAC Name: (1S,2S,3S,4R,5R)-4-[4-(2-Methoxyphenyl)piperazin-1-yl]-2-(pyridin-2-ylmethylamino)-6,8-dioxabicyclo[3.2.1]octan-3-ol
ID: Reference11223
Other Names: NAT17-347119
Formula: C23H30N4O4
Spectral Data
(1S,2S,3S,4R,5R)-4-[4-(2-Methoxyphenyl)-1-piperazinyl]-2-[(2-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 | 2745 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 2/18/2022 7:52:12 AM |
Identificators
| InChI | InChI=1S/C23H30N4O4/c1-29-18-8-3-2-7-17(18)26-10-12-27(13-11-26)21-22(28)20(19-15-30-23(21)31-19)25-14-16-6-4-5-9-24-16/h2-9,19-23,25,28H,10-15H2,1H3/t19-,20-,21-,22+,23-/m1/s1 |
| InChI Key | OWWCMDHXCSSWQG-FWKCKQQBSA-N |
| Canonical SMILES | COC1=CC=CC=C1N2CCN(CC2)C3C(C(C4COC3O4)NCC5=CC=CC=N5)O |
| CAS | |
| Splash | |
| Other Names | NAT17-347119 |