2-[(3S)-1-(2-Pyridinylmethyl)-3-pyrrolidinyl]-5-(trifluoromethyl)-1H-benzimidazole
11018
Reference
2-[(3S)-1-(2-Pyridinylmethyl)-3-pyrrolidinyl]-5-(trifluoromethyl)-1H-benzimidazole Structure
Systematic / IUPAC Name: 2-[(3S)-1-(Pyridin-2-ylmethyl)pyrrolidin-3-yl]-6-(trifluoromethyl)-1H-benzimidazole
ID: Reference11018
Other Names: NAT31-457577
Formula: C18H17F3N4
Spectral Data
2-[(3S)-1-(2-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 | 1103 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 11/12/2021 11:25:10 AM |
Identificators
| InChI | InChI=1S/C18H17F3N4/c19-18(20,21)13-4-5-15-16(9-13)24-17(23-15)12-6-8-25(10-12)11-14-3-1-2-7-22-14/h1-5,7,9,12H,6,8,10-11H2,(H,23,24)/t12-/m0/s1 |
| InChI Key | LYCWJOGHXXWECF-LBPRGKRZSA-N |
| Canonical SMILES | C1CN(CC1C2=NC3=C(N2)C=C(C=C3)C(F)(F)F)CC4=CC=CC=N4 |
| CAS | |
| Splash | |
| Other Names | NAT31-457577 |