(1S,2S,3S,4R,5R)-2-[(2-Hydroxybenzyl)amino]-4-(4-methyl-1-piperazinyl)-6,8-dioxabicyclo[3.2.1]octan-3-ol
9479
Reference
(1S,2S,3S,4R,5R)-2-[(2-Hydroxybenzyl)amino]-4-(4-methyl-1-piperazinyl)-6,8-dioxabicyclo[3.2.1]octan-3-ol Structure
Systematic / IUPAC Name: (1S,2S,3S,4R,5R)-2-[(2-Hydroxyphenyl)methylamino]-4-(4-methylpiperazin-1-yl)-6,8-dioxabicyclo[3.2.1]octan-3-ol
ID: Reference9479
Other Names: NAT17-347245
Formula: C18H27N3O4
Spectral Data
(1S,2S,3S,4R,5R)-2-[(2-Hydroxybenzyl)amino]-4-(4-methyl-1-piperazinyl)-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 | 2 |
| No. of Spectra | 2716 |
| Tandem Spectra | MS1, MS2, MS3, MS4, MS5 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 3/12/2020 8:50:21 AM |
Identificators
| InChI | InChI=1S/C18H27N3O4/c1-20-6-8-21(9-7-20)16-17(23)15(14-11-24-18(16)25-14)19-10-12-4-2-3-5-13(12)22/h2-5,14-19,22-23H,6-11H2,1H3/t14-,15-,16-,17+,18-/m1/s1 |
| InChI Key | BRKAJVMLFGJAQL-HSFUPAIVSA-N |
| Canonical SMILES | CN1CCN(CC1)C2C(C(C3COC2O3)NCC4=CC=CC=C4O)O |
| CAS | |
| Splash | |
| Other Names | NAT17-347245 |