1-{(1S,4S,6S)-6-Isopropyl-3-methyl-4-[(1-methyl-1H-benzimidazol-2-yl)methyl]-2-cyclohexen-1-yl}methanamine
11140
Reference
1-{(1S,4S,6S)-6-Isopropyl-3-methyl-4-[(1-methyl-1H-benzimidazol-2-yl)methyl]-2-cyclohexen-1-yl}methanamine Structure
Systematic / IUPAC Name: [(1S,4S,6S)-3-Methyl-4-[(1-methylbenzimidazol-2-yl)methyl]-6-propan-2-ylcyclohex-2-en-1-yl]methanamine
ID: Reference11140
Other Names: NAT28-538275
Formula: C20H29N3
Spectral Data
1-{(1S,4S,6S)-6-Isopropyl-3-methyl-4-[(1-methyl-1H-benzimidazol-2-yl)methyl]-2-cyclohexen-1-yl}methanamine 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 | 878 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 1/17/2022 3:24:47 PM |
Identificators
| InChI | InChI=1S/C20H29N3/c1-13(2)17-10-15(14(3)9-16(17)12-21)11-20-22-18-7-5-6-8-19(18)23(20)4/h5-9,13,15-17H,10-12,21H2,1-4H3/t15-,16-,17-/m0/s1 |
| InChI Key | HHMVCWYRMXYEAA-ULQDDVLXSA-N |
| Canonical SMILES | CC1=CC(C(CC1CC2=NC3=CC=CC=C3N2C)C(C)C)CN |
| CAS | |
| Splash | |
| Other Names | NAT28-538275 |