N-({(1S,4S,6S)-4-[(5-Fluoro-1H-benzimidazol-2-yl)methyl]-6-isopropyl-3-methyl-2-cyclohexen-1-yl}methyl)cyclohexanecarboxamide
11172
Reference
N-({(1S,4S,6S)-4-[(5-Fluoro-1H-benzimidazol-2-yl)methyl]-6-isopropyl-3-methyl-2-cyclohexen-1-yl}methyl)cyclohexanecarboxamide Structure
Systematic / IUPAC Name: N-[[(1S,4S,6S)-4-[(6-Fluoro-1H-benzimidazol-2-yl)methyl]-3-methyl-6-propan-2-ylcyclohex-2-en-1-yl]methyl]cyclohexanecarboxamide
ID: Reference11172
Other Names: NAT28-538188
Formula: C26H36FN3O
Spectral Data
N-({(1S,4S,6S)-4-[(5-Fluoro-1H-benzimidazol-2-yl)methyl]-6-isopropyl-3-methyl-2-cyclohexen-1-yl}methyl)cyclohexanecarboxamide mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.
Available MS Data
| Used Instruments | Orbitrap Fusion Lumos with ETD LBP |
| No. of Spectral Trees | 1 |
| No. of Spectra | 2188 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 2/3/2022 11:24:08 AM |
Identificators
| InChI | InChI=1S/C26H36FN3O/c1-16(2)22-12-19(13-25-29-23-10-9-21(27)14-24(23)30-25)17(3)11-20(22)15-28-26(31)18-7-5-4-6-8-18/h9-11,14,16,18-20,22H,4-8,12-13,15H2,1-3H3,(H,28,31)(H,29,30)/t19-,20-,22-/m0/s1 |
| InChI Key | YOVUTAVETDKIAA-ONTIZHBOSA-N |
| Canonical SMILES | CC1=CC(C(CC1CC2=NC3=C(N2)C=C(C=C3)F)C(C)C)CNC(=O)C4CCCCC4 |
| CAS | |
| Splash | |
| Other Names | NAT28-538188 |