2-{(3S)-1-[4-(Trifluoromethyl)benzyl]-3-pyrrolidinyl}-1H-benzimidazole-5-carbonitrile
11557
Reference
2-{(3S)-1-[4-(Trifluoromethyl)benzyl]-3-pyrrolidinyl}-1H-benzimidazole-5-carbonitrile Structure
Systematic / IUPAC Name: 2-[(3S)-1-[[4-(Trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]-3H-benzimidazole-5-carbonitrile
ID: Reference11557
Other Names: NAT31-457763
Formula: C20H17F3N4
Spectral Data
2-{(3S)-1-[4-(Trifluoromethyl)benzyl]-3-pyrrolidinyl}-1H-benzimidazole-5-carbonitrile 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 | 869 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 7/12/2022 9:08:42 AM |
Identificators
| InChI | InChI=1S/C20H17F3N4/c21-20(22,23)16-4-1-13(2-5-16)11-27-8-7-15(12-27)19-25-17-6-3-14(10-24)9-18(17)26-19/h1-6,9,15H,7-8,11-12H2,(H,25,26)/t15-/m0/s1 |
| InChI Key | CYTQXYLHLAYSKD-HNNXBMFYSA-N |
| Canonical SMILES | C1CN(CC1C2=NC3=C(N2)C=C(C=C3)C#N)CC4=CC=C(C=C4)C(F)(F)F |
| CAS | |
| Splash | |
| Other Names | NAT31-457763 |