2-[(3S)-1-(3-Pyridinylmethyl)-3-pyrrolidinyl]-5-(trifluoromethyl)-1H-benzimidazole
11019
Reference
2-[(3S)-1-(3-Pyridinylmethyl)-3-pyrrolidinyl]-5-(trifluoromethyl)-1H-benzimidazole Structure
Systematic / IUPAC Name: 2-[(3S)-1-(Pyridin-3-ylmethyl)pyrrolidin-3-yl]-6-(trifluoromethyl)-1H-benzimidazole
ID: Reference11019
Other Names: NAT31-457578
Formula: C18H17F3N4
Spectral Data
2-[(3S)-1-(3-Pyridinylmethyl)-3-pyrrolidinyl]-5-(trifluoromethyl)-1H-benzimidazole 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 | 1368 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 11/12/2021 11:27:44 AM |
Identificators
| InChI | InChI=1S/C18H17F3N4/c19-18(20,21)14-3-4-15-16(8-14)24-17(23-15)13-5-7-25(11-13)10-12-2-1-6-22-9-12/h1-4,6,8-9,13H,5,7,10-11H2,(H,23,24)/t13-/m0/s1 |
| InChI Key | NAQRYLBQJWTGAH-ZDUSSCGKSA-N |
| Canonical SMILES | C1CN(CC1C2=NC3=C(N2)C=C(C=C3)C(F)(F)F)CC4=CN=CC=C4 |
| CAS | |
| Splash | |
| Other Names | NAT31-457578 |