5-Methoxy-2-{(3S)-1-[4-(trifluoromethyl)benzyl]-3-pyrrolidinyl}-1H-benzimidazole
11117
Reference
5-Methoxy-2-{(3S)-1-[4-(trifluoromethyl)benzyl]-3-pyrrolidinyl}-1H-benzimidazole Structure
Systematic / IUPAC Name: 6-Methoxy-2-[(3S)-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]-1H-benzimidazole
ID: Reference11117
Other Names: NAT31-457645
Formula: C20H20F3N3O
Spectral Data
5-Methoxy-2-{(3S)-1-[4-(trifluoromethyl)benzyl]-3-pyrrolidinyl}-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 | 1355 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 12/17/2021 12:19:07 PM |
Identificators
| InChI | InChI=1S/C20H20F3N3O/c1-27-16-6-7-17-18(10-16)25-19(24-17)14-8-9-26(12-14)11-13-2-4-15(5-3-13)20(21,22)23/h2-7,10,14H,8-9,11-12H2,1H3,(H,24,25)/t14-/m0/s1 |
| InChI Key | WHCMSCSWOHFNTR-AWEZNQCLSA-N |
| Canonical SMILES | COC1=CC2=C(C=C1)N=C(N2)C3CCN(C3)CC4=CC=C(C=C4)C(F)(F)F |
| CAS | |
| Splash | |
| Other Names | NAT31-457645 |