3-({[(1R,2S,3R,5R)-2,3-Dihydroxy-5-(3-pyridinyl)cyclopentyl]amino}methyl)benzonitrile
13026
Reference
3-({[(1R,2S,3R,5R)-2,3-Dihydroxy-5-(3-pyridinyl)cyclopentyl]amino}methyl)benzonitrile Structure
Systematic / IUPAC Name: 3-[[[(1R,2S,3R,5R)-2,3-Dihydroxy-5-pyridin-3-ylcyclopentyl]amino]methyl]benzonitrile
ID: Reference13026
Other Names: NAT38-539661
Formula: C18H19N3O2
Spectral Data
3-({[(1R,2S,3R,5R)-2,3-Dihydroxy-5-(3-pyridinyl)cyclopentyl]amino}methyl)benzonitrile 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 | 445 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 2/22/2024 9:08:09 AM |
Identificators
| InChI | InChI=1S/C18H19N3O2/c19-9-12-3-1-4-13(7-12)10-21-17-15(8-16(22)18(17)23)14-5-2-6-20-11-14/h1-7,11,15-18,21-23H,8,10H2/t15-,16-,17-,18-/m1/s1 |
| InChI Key | GTJNUERTSZVKGK-BRSBDYLESA-N |
| Canonical SMILES | C1C(C(C(C1O)O)NCC2=CC(=CC=C2)C#N)C3=CN=CC=C3 |
| CAS | |
| Splash | |
| Other Names | NAT38-539661 |