N-({(1S,4S,6S)-6-Isopropyl-3-methyl-4-[(5-methyl-1H-benzimidazol-2-yl)methyl]-2-cyclohexen-1-yl}methyl)benzamide
11139
Reference
N-({(1S,4S,6S)-6-Isopropyl-3-methyl-4-[(5-methyl-1H-benzimidazol-2-yl)methyl]-2-cyclohexen-1-yl}methyl)benzamide Structure
Systematic / IUPAC Name: N-[[(1S,4S,6S)-3-Methyl-4-[(6-methyl-1H-benzimidazol-2-yl)methyl]-6-propan-2-ylcyclohex-2-en-1-yl]methyl]benzamide
ID: Reference11139
Other Names: NAT28-538140
Formula: C27H33N3O
Spectral Data
N-({(1S,4S,6S)-6-Isopropyl-3-methyl-4-[(5-methyl-1H-benzimidazol-2-yl)methyl]-2-cyclohexen-1-yl}methyl)benzamide 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 | 1607 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 1/17/2022 3:13:55 PM |
Identificators
| InChI | InChI=1S/C27H33N3O/c1-17(2)23-14-21(15-26-29-24-11-10-18(3)12-25(24)30-26)19(4)13-22(23)16-28-27(31)20-8-6-5-7-9-20/h5-13,17,21-23H,14-16H2,1-4H3,(H,28,31)(H,29,30)/t21-,22-,23-/m0/s1 |
| InChI Key | NXFZGXMVFJTUSP-VABKMULXSA-N |
| Canonical SMILES | CC1=CC2=C(C=C1)N=C(N2)CC3CC(C(C=C3C)CNC(=O)C4=CC=CC=C4)C(C)C |
| CAS | |
| Splash | |
| Other Names | NAT28-538140 |