Systematic / IUPAC Name: 6-Fluoro-2-[(3S)-1-(oxan-4-yl)pyrrolidin-3-yl]-1H-benzimidazole
ID: Reference10333
Other Names: NAT31-457227
Formula: C16H20FN3O
5-Fluoro-2-[(3S)-1-(tetrahydro-2H-pyran-4-yl)-3-pyrrolidinyl]-1H-benzimidazole mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.
Used Instruments | Orbitrap Fusion Lumos with ETD LBP |
No. of Spectral Trees | 2 |
No. of Spectra | 1595 |
Tandem Spectra | MS1, MS2, MS3, MS4, MS5 |
Ionization Methods | NSI |
Analyzers | FT |
Last Modification | 3/26/2021 7:37:26 AM |
InChI | InChI=1S/C16H20FN3O/c17-12-1-2-14-15(9-12)19-16(18-14)11-3-6-20(10-11)13-4-7-21-8-5-13/h1-2,9,11,13H,3-8,10H2,(H,18,19)/t11-/m0/s1 |
InChI Key | SQWKLZZHARQSDU-NSHDSACASA-N |
Canonical SMILES | C1CN(CC1C2=NC3=C(N2)C=C(C=C3)F)C4CCOCC4 |
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Other Names | NAT31-457227 |
PubChem | 45784238 |
ChemSpider | 29850034 |
ChEMBL | CHEMBL3436869 |