3-Cyano-N-{(1R,2S,3R,5R)-2,3-dihydroxy-5-[6-(4-morpholinyl)-3-pyridinyl]cyclopentyl}benzamide
11312
Reference
3-Cyano-N-{(1R,2S,3R,5R)-2,3-dihydroxy-5-[6-(4-morpholinyl)-3-pyridinyl]cyclopentyl}benzamide Structure
Systematic / IUPAC Name: 3-Cyano-N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-(6-morpholin-4-ylpyridin-3-yl)cyclopentyl]benzamide
ID: Reference11312
Other Names: NAT38-539412
Formula: C22H24N4O4
Spectral Data
3-Cyano-N-{(1R,2S,3R,5R)-2,3-dihydroxy-5-[6-(4-morpholinyl)-3-pyridinyl]cyclopentyl}benzamide 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 | 1795 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 3/25/2022 9:17:26 AM |
Identificators
| InChI | InChI=1S/C22H24N4O4/c23-12-14-2-1-3-15(10-14)22(29)25-20-17(11-18(27)21(20)28)16-4-5-19(24-13-16)26-6-8-30-9-7-26/h1-5,10,13,17-18,20-21,27-28H,6-9,11H2,(H,25,29)/t17-,18-,20-,21-/m1/s1 |
| InChI Key | ZKGPKAQYOVDSFO-VURPSTOHSA-N |
| Canonical SMILES | C1COCCN1C2=NC=C(C=C2)C3CC(C(C3NC(=O)C4=CC=CC(=C4)C#N)O)O |
| CAS | |
| Splash | |
| Other Names | NAT38-539412 |