1-{(1S,4S,6S)-6-Isopropyl-3-methyl-4-[(5-methyl-1H-benzimidazol-2-yl)methyl]-2-cyclohexen-1-yl}methanamine
11872
Reference
1-{(1S,4S,6S)-6-Isopropyl-3-methyl-4-[(5-methyl-1H-benzimidazol-2-yl)methyl]-2-cyclohexen-1-yl}methanamine Structure
Systematic / IUPAC Name: [(1S,4S,6S)-3-Methyl-4-[(6-methyl-1H-benzimidazol-2-yl)methyl]-6-propan-2-ylcyclohex-2-en-1-yl]methanamine
ID: Reference11872
Other Names: NAT28-538183
Formula: C20H29N3
Spectral Data
1-{(1S,4S,6S)-6-Isopropyl-3-methyl-4-[(5-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 | 910 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 10/17/2022 10:56:40 AM |
Identificators
| InChI | InChI=1S/C20H29N3/c1-12(2)17-9-15(14(4)8-16(17)11-21)10-20-22-18-6-5-13(3)7-19(18)23-20/h5-8,12,15-17H,9-11,21H2,1-4H3,(H,22,23)/t15-,16-,17-/m0/s1 |
| InChI Key | UGZMKUFYWNXYAY-ULQDDVLXSA-N |
| Canonical SMILES | CC1=CC2=C(C=C1)N=C(N2)CC3CC(C(C=C3C)CN)C(C)C |
| CAS | |
| Splash | |
| Other Names | NAT28-538183 |