2-[(3S)-1-Cyclohexyl-3-pyrrolidinyl]-5-(trifluoromethyl)-1H-benzimidazole

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

ID: Reference11021

Other Names: NAT31-457557

Formula: C18H22F3N3

Spectral Data

2-[(3S)-1-Cyclohexyl-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.

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Available MS Data

Used Instruments Orbitrap Fusion Lumos with ETD LBP
No. of Spectral Trees 1
No. of Spectra 873
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 11/12/2021 11:35:34 AM
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Identificators

InChI InChI=1S/C18H22F3N3/c19-18(20,21)13-6-7-15-16(10-13)23-17(22-15)12-8-9-24(11-12)14-4-2-1-3-5-14/h6-7,10,12,14H,1-5,8-9,11H2,(H,22,23)/t12-/m0/s1
InChI Key QHKQYFIJBOOTJW-LBPRGKRZSA-N
Canonical SMILES C1CCC(CC1)N2CCC(C2)C3=NC4=C(N3)C=C(C=C4)C(F)(F)F
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Other Names NAT31-457557

In Other Databases

ChEMBL CHEMBL3437328
ChemSpider 29850077
PubChem 45784262