1-[(3S,5S)-5-(3-Benzyl-1,2,4-oxadiazol-5-yl)-1-methyl-3-pyrrolidinyl]-3-cyclohexylurea
11010
Reference
1-[(3S,5S)-5-(3-Benzyl-1,2,4-oxadiazol-5-yl)-1-methyl-3-pyrrolidinyl]-3-cyclohexylurea Structure
Systematic / IUPAC Name: 1-[(3S,5S)-5-(3-Benzyl-1,2,4-oxadiazol-5-yl)-1-methylpyrrolidin-3-yl]-3-cyclohexylurea
ID: Reference11010
Other Names: NAT18-356309
Formula: C21H29N5O2
Spectral Data
1-[(3S,5S)-5-(3-Benzyl-1,2,4-oxadiazol-5-yl)-1-methyl-3-pyrrolidinyl]-3-cyclohexylurea 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 | 795 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 11/5/2021 3:27:51 PM |
Identificators
| InChI | InChI=1S/C21H29N5O2/c1-26-14-17(23-21(27)22-16-10-6-3-7-11-16)13-18(26)20-24-19(25-28-20)12-15-8-4-2-5-9-15/h2,4-5,8-9,16-18H,3,6-7,10-14H2,1H3,(H2,22,23,27)/t17-,18-/m0/s1 |
| InChI Key | FYDCIDOZUSJOCU-ROUUACIJSA-N |
| Canonical SMILES | CN1CC(CC1C2=NC(=NO2)CC3=CC=CC=C3)NC(=O)NC4CCCCC4 |
| CAS | |
| Splash | |
| Other Names | NAT18-356309 |