Systematic / IUPAC Name: 3-[[(3S)-3-(6-Fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methyl]benzonitrile
ID: Reference12254
Other Names: NAT31-457199
Formula: C19H17FN4
3-{[(3S)-3-(5-Fluoro-1H-benzimidazol-2-yl)-1-pyrrolidinyl]methyl}benzonitrile 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 | 1 |
No. of Spectra | 430 |
Tandem Spectra | MS1, MS2, MS3 |
Ionization Methods | NSI |
Analyzers | FT |
Last Modification | 2/14/2023 9:50:51 AM |
InChI | InChI=1S/C19H17FN4/c20-16-4-5-17-18(9-16)23-19(22-17)15-6-7-24(12-15)11-14-3-1-2-13(8-14)10-21/h1-5,8-9,15H,6-7,11-12H2,(H,22,23)/t15-/m0/s1 |
InChI Key | TTYBJCJQELWRJO-HNNXBMFYSA-N |
Canonical SMILES | C1CN(CC1C2=NC3=C(N2)C=C(C=C3)F)CC4=CC(=CC=C4)C#N |
CAS | |
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Other Names | NAT31-457199 |