N-({(1S,4S,6S)-6-Isopropyl-3-methyl-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-2-cyclohexen-1-yl}methyl)-N,N',N'-trimethyl-1,2-ethanediamine
12373
Reference
N-({(1S,4S,6S)-6-Isopropyl-3-methyl-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-2-cyclohexen-1-yl}methyl)-N,N',N'-trimethyl-1,2-ethanediamine Structure
Systematic / IUPAC Name: N,N,N'-Trimethyl-N'-[[(1S,4S,6S)-3-methyl-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-6-propan-2-ylcyclohex-2-en-1-yl]methyl]ethane-1,2-diamine
ID: Reference12373
Other Names: NAT28-410500
Formula: C25H38N4O
Spectral Data
N-({(1S,4S,6S)-6-Isopropyl-3-methyl-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-2-cyclohexen-1-yl}methyl)-N,N',N'-trimethyl-1,2-ethanediamine 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 | 1363 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 3/17/2023 12:53:40 PM |
Identificators
| InChI | InChI=1S/C25H38N4O/c1-18(2)23-15-21(19(3)14-22(23)17-29(6)13-12-28(4)5)16-24-26-27-25(30-24)20-10-8-7-9-11-20/h7-11,14,18,21-23H,12-13,15-17H2,1-6H3/t21-,22-,23-/m0/s1 |
| InChI Key | NLJGHDRVMGNAPD-VABKMULXSA-N |
| Canonical SMILES | CC1=CC(C(CC1CC2=NN=C(O2)C3=CC=CC=C3)C(C)C)CN(C)CCN(C)C |
| CAS | |
| Splash | |
| Other Names | NAT28-410500 |