Systematic / IUPAC Name: N,N-Dimethyl-4-[5-[[(1S,4S,5S)-2-methyl-5-propan-2-yl-4-[(propan-2-ylamino)methyl]cyclohex-2-en-1-yl]methyl]-1,3,4-oxadiazol-2-yl]aniline
ID: Reference10533
Other Names:
Benzenamine, N,N-dimethyl-4-[5-[[(1S,4S,5S)-2-methyl-5-(1-methylethyl)-4-[[(1-methylethyl)amino]methyl]-2-cyclohexen-1-yl]methyl]-1,3,4-oxadiazol-2-yl]-;
NAT28-412592
Formula: C25H38N4O
4-[5-({(1S,4S,5S)-5-Isopropyl-4-[(isopropylamino)methyl]-2-methyl-2-cyclohexen-1-yl}methyl)-1,3,4-oxadiazol-2-yl]-N,N-dimethylaniline mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.
Used Instruments | Orbitrap Fusion Lumos with ETD LBP |
No. of Spectral Trees | 1 |
No. of Spectra | 1603 |
Tandem Spectra | MS1, MS2, MS3, MS4 |
Ionization Methods | NSI |
Analyzers | FT |
Last Modification | 6/7/2021 10:19:55 AM |
InChI | InChI=1S/C25H38N4O/c1-16(2)23-13-20(18(5)12-21(23)15-26-17(3)4)14-24-27-28-25(30-24)19-8-10-22(11-9-19)29(6)7/h8-12,16-17,20-21,23,26H,13-15H2,1-7H3/t20-,21-,23-/m0/s1 |
InChI Key | VWPSYSIVFLNQOP-FUDKSRODSA-N |
Canonical SMILES | CC1=CC(C(CC1CC2=NN=C(O2)C3=CC=C(C=C3)N(C)C)C(C)C)CNC(C)C |
CAS | |
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Other Names |
Benzenamine, N,N-dimethyl-4-[5-[[(1S,4S,5S)-2-methyl-5-(1-methylethyl)-4-[[(1-methylethyl)amino]methyl]-2-cyclohexen-1-yl]methyl]-1,3,4-oxadiazol-2-yl]-; NAT28-412592 |