Systematic / IUPAC Name: 2-[(3S)-1-(Cyclohexylmethyl)pyrrolidin-3-yl]-6-methyl-1H-benzimidazole
ID: Reference9679
Other Names:
1H-Benzimidazole, 2-[(3S)-1-(cyclohexylmethyl)-3-pyrrolidinyl]-5-methyl-;
NAT31-457143
Formula: C19H27N3
2-[(3S)-1-(Cyclohexylmethyl)-3-pyrrolidinyl]-5-methyl-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 | 2178 |
Tandem Spectra | MS1, MS2, MS3, MS4 |
Ionization Methods | NSI |
Analyzers | FT |
Last Modification | 5/15/2020 12:16:58 PM |
InChI | InChI=1S/C19H27N3/c1-14-7-8-17-18(11-14)21-19(20-17)16-9-10-22(13-16)12-15-5-3-2-4-6-15/h7-8,11,15-16H,2-6,9-10,12-13H2,1H3,(H,20,21)/t16-/m0/s1 |
InChI Key | FYFSGUSCZXAUPG-INIZCTEOSA-N |
Canonical SMILES | CC1=CC2=C(C=C1)N=C(N2)C3CCN(C3)CC4CCCCC4 |
CAS | |
Splash | |
Other Names |
1H-Benzimidazole, 2-[(3S)-1-(cyclohexylmethyl)-3-pyrrolidinyl]-5-methyl-; NAT31-457143 |
ChEMBL | CHEMBL3436799 |
PubChem | 51137095 |
ChemSpider | 29850002 |