1-{[(2R,4S,5R)-5-(2,3-Dihydro-1H-indol-1-ylmethyl)-1-azabicyclo[2.2.2]oct-2-yl]methyl}-3-phenylurea
11188
Reference
1-{[(2R,4S,5R)-5-(2,3-Dihydro-1H-indol-1-ylmethyl)-1-azabicyclo[2.2.2]oct-2-yl]methyl}-3-phenylurea Structure
Systematic / IUPAC Name: 1-[[(2R,4S,5R)-5-(2,3-Dihydroindol-1-ylmethyl)-1-azabicyclo[2.2.2]octan-2-yl]methyl]-3-phenylurea
ID: Reference11188
Other Names: NAT13-339826
Formula: C24H30N4O
Spectral Data
1-{[(2R,4S,5R)-5-(2,3-Dihydro-1H-indol-1-ylmethyl)-1-azabicyclo[2.2.2]oct-2-yl]methyl}-3-phenylurea 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 | 1420 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 2/4/2022 10:10:26 AM |
Identificators
| InChI | InChI=1S/C24H30N4O/c29-24(26-21-7-2-1-3-8-21)25-15-22-14-19-11-12-27(22)16-20(19)17-28-13-10-18-6-4-5-9-23(18)28/h1-9,19-20,22H,10-17H2,(H2,25,26,29)/t19-,20+,22+/m0/s1 |
| InChI Key | XHLTWWDSKQNPBD-TUNNFDKTSA-N |
| Canonical SMILES | C1CN2CC(C1CC2CNC(=O)NC3=CC=CC=C3)CN4CCC5=CC=CC=C54 |
| CAS | |
| Splash | |
| Other Names | NAT13-339826 |