5-Fluoro-2-[(3S)-1-(tetrahydro-2H-pyran-4-yl)-3-pyrrolidinyl]-1H-benzimidazole

enlarge

Systematic / IUPAC Name: 6-Fluoro-2-[(3S)-1-(oxan-4-yl)pyrrolidin-3-yl]-1H-benzimidazole

ID: Reference10333

Other Names: NAT31-457227

Formula: C16H20FN3O

Spectral Data

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.

View Mass Spectra

Available MS Data

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
View Mass Spec Data > >

Identificators

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
CAS
Splash
Other Names NAT31-457227

In Other Databases

PubChem 45784238
ChemSpider 29850034
ChEMBL CHEMBL3436869