(1S,2S,3S,4R,5R)-2-[(1,3-Benzodioxol-5-ylmethyl)amino]-4-{methyl[2-(2-pyridinyl)ethyl]amino}-6,8-dioxabicyclo[3.2.1]octan-3-ol
9537
Reference
(1S,2S,3S,4R,5R)-2-[(1,3-Benzodioxol-5-ylmethyl)amino]-4-{methyl[2-(2-pyridinyl)ethyl]amino}-6,8-dioxabicyclo[3.2.1]octan-3-ol Structure
Systematic / IUPAC Name: (1S,2S,3S,4R,5R)-2-(1,3-Benzodioxol-5-ylmethylamino)-4-[methyl(2-pyridin-2-ylethyl)amino]-6,8-dioxabicyclo[3.2.1]octan-3-ol
ID: Reference9537
Other Names: NAT17-381324
Formula: C22H27N3O5
Spectral Data
(1S,2S,3S,4R,5R)-2-[(1,3-Benzodioxol-5-ylmethyl)amino]-4-{methyl[2-(2-pyridinyl)ethyl]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 | 1360 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 4/1/2020 7:06:24 AM |
Identificators
| InChI | InChI=1S/C22H27N3O5/c1-25(9-7-15-4-2-3-8-23-15)20-21(26)19(18-12-27-22(20)30-18)24-11-14-5-6-16-17(10-14)29-13-28-16/h2-6,8,10,18-22,24,26H,7,9,11-13H2,1H3/t18-,19-,20-,21+,22-/m1/s1 |
| InChI Key | QCDPYJXFVJNYCC-CSEOROSGSA-N |
| Canonical SMILES | CN(CCC1=CC=CC=N1)C2C(C(C3COC2O3)NCC4=CC5=C(C=C4)OCO5)O |
| CAS | |
| Splash | |
| Other Names | NAT17-381324 |