1-{[(2R,4S,5R)-5-(3-Cyclopentyl-1-methyl-1H-pyrazol-5-yl)-1-azabicyclo[2.2.2]oct-2-yl]methyl}-3-isopropylurea
12617
Reference
1-{[(2R,4S,5R)-5-(3-Cyclopentyl-1-methyl-1H-pyrazol-5-yl)-1-azabicyclo[2.2.2]oct-2-yl]methyl}-3-isopropylurea Structure
Systematic / IUPAC Name: 1-[[(2R,4S,5R)-5-(5-Cyclopentyl-2-methylpyrazol-3-yl)-1-azabicyclo[2.2.2]octan-2-yl]methyl]-3-propan-2-ylurea
ID: Reference12617
Other Names: NAT13-334392
Formula: C21H35N5O
Spectral Data
1-{[(2R,4S,5R)-5-(3-Cyclopentyl-1-methyl-1H-pyrazol-5-yl)-1-azabicyclo[2.2.2]oct-2-yl]methyl}-3-isopropylurea 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 FAIMS |
| No. of Spectral Trees | 1 |
| No. of Spectra | 2287 |
| Tandem Spectra | MS1, MS2, MS3, MS4, MS5 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 6/28/2023 8:44:18 AM |
Identificators
| InChI | InChI=1S/C21H35N5O/c1-14(2)23-21(27)22-12-17-10-16-8-9-26(17)13-18(16)20-11-19(24-25(20)3)15-6-4-5-7-15/h11,14-18H,4-10,12-13H2,1-3H3,(H2,22,23,27)/t16-,17+,18-/m0/s1 |
| InChI Key | IRQGDASBDXSVDY-KSZLIROESA-N |
| Canonical SMILES | CC(C)NC(=O)NCC1CC2CCN1CC2C3=CC(=NN3C)C4CCCC4 |
| CAS | |
| Splash | |
| Other Names | NAT13-334392 |