1-[(1S,2S,3S,4R,5R)-2-{[(3-Cyanophenyl)carbamoyl]amino}-3-hydroxy-6,8-dioxabicyclo[3.2.1]oct-4-yl]-4-piperidinecarboxamide
12057
Reference
1-[(1S,2S,3S,4R,5R)-2-{[(3-Cyanophenyl)carbamoyl]amino}-3-hydroxy-6,8-dioxabicyclo[3.2.1]oct-4-yl]-4-piperidinecarboxamide Structure
Systematic / IUPAC Name: 1-[(1S,2S,3S,4R,5R)-2-[(3-Cyanophenyl)carbamoylamino]-3-hydroxy-6,8-dioxabicyclo[3.2.1]octan-4-yl]piperidine-4-carboxamide
ID: Reference12057
Other Names: NAT17-347354
Formula: C20H25N5O5
Spectral Data
1-[(1S,2S,3S,4R,5R)-2-{[(3-Cyanophenyl)carbamoyl]amino}-3-hydroxy-6,8-dioxabicyclo[3.2.1]oct-4-yl]-4-piperidinecarboxamide 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 | 1431 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 12/13/2022 11:28:00 AM |
Identificators
| InChI | InChI=1S/C20H25N5O5/c21-9-11-2-1-3-13(8-11)23-20(28)24-15-14-10-29-19(30-14)16(17(15)26)25-6-4-12(5-7-25)18(22)27/h1-3,8,12,14-17,19,26H,4-7,10H2,(H2,22,27)(H2,23,24,28)/t14-,15-,16-,17+,19-/m1/s1 |
| InChI Key | CUEFDEDNWARIDO-ZQOJQMTGSA-N |
| Canonical SMILES | C1CN(CCC1C(=O)N)C2C(C(C3COC2O3)NC(=O)NC4=CC=CC(=C4)C#N)O |
| CAS | |
| Splash | |
| Other Names | NAT17-347354 |