(1S,2S,3S,4R,5R)-2-[(4-Biphenylylmethyl)amino]-4-{methyl[2-(2-pyridinyl)ethyl]amino}-6,8-dioxabicyclo[3.2.1]octan-3-ol
11224
Reference
(1S,2S,3S,4R,5R)-2-[(4-Biphenylylmethyl)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)-4-[Methyl(2-pyridin-2-ylethyl)amino]-2-[(4-phenylphenyl)methylamino]-6,8-dioxabicyclo[3.2.1]octan-3-ol
ID: Reference11224
Other Names: NAT17-381313
Formula: C27H31N3O3
Spectral Data
(1S,2S,3S,4R,5R)-2-[(4-Biphenylylmethyl)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 | 1085 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 2/18/2022 8:05:19 AM |
Identificators
| InChI | InChI=1S/C27H31N3O3/c1-30(16-14-22-9-5-6-15-28-22)25-26(31)24(23-18-32-27(25)33-23)29-17-19-10-12-21(13-11-19)20-7-3-2-4-8-20/h2-13,15,23-27,29,31H,14,16-18H2,1H3/t23-,24-,25-,26+,27-/m1/s1 |
| InChI Key | PZUVAWXREFBIIX-KUDLYRENSA-N |
| Canonical SMILES | CN(CCC1=CC=CC=N1)C2C(C(C3COC2O3)NCC4=CC=C(C=C4)C5=CC=CC=C5)O |
| CAS | |
| Splash | |
| Other Names | NAT17-381313 |