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

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

ID: Reference10321

Other Names: NAT31-457581

Formula: C17H20F3N3O

Spectral Data

2-[(3S)-1-(Tetrahydro-2H-pyran-4-yl)-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.

View Mass Spectra

Available MS Data

Used Instruments Orbitrap Fusion Lumos with ETD LBP
No. of Spectral Trees 2
No. of Spectra 2433
Tandem Spectra MS1, MS2, MS3, MS4, MS5
Ionization Methods NSI
Analyzers FT
Last Modification 3/26/2021 5:34:47 PM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C17H20F3N3O/c18-17(19,20)12-1-2-14-15(9-12)22-16(21-14)11-3-6-23(10-11)13-4-7-24-8-5-13/h1-2,9,11,13H,3-8,10H2,(H,21,22)/t11-/m0/s1
InChI Key KVWJTRORNYPPEJ-NSHDSACASA-N
Canonical SMILES C1CN(CC1C2=NC3=C(N2)C=C(C=C3)C(F)(F)F)C4CCOCC4
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Other Names NAT31-457581

In Other Databases

PubChem 45784271
ChEMBL CHEMBL3437560
ChemSpider 29850088