Systematic / IUPAC Name: 2-[[(1S,4S,6S)-4-[[5-[4-(Dimethylamino)phenyl]-1,3,4-oxadiazol-2-yl]methyl]-3-methyl-6-propan-2-ylcyclohex-2-en-1-yl]methyl-methylamino]ethanol
ID: Reference10554
Other Names:
Ethanol, 2-[[[(1S,4S,6S)-4-[[5-[4-(dimethylamino)phenyl]-1,3,4-oxadiazol-2-yl]methyl]-3-methyl-6-(1-methylethyl)-2-cyclohexen-1-yl]methyl]methylamino]-;
NAT28-412604
Formula: C25H38N4O2
2-[{[(1S,4S,6S)-4-({5-[4-(Dimethylamino)phenyl]-1,3,4-oxadiazol-2-yl}methyl)-6-isopropyl-3-methyl-2-cyclohexen-1-yl]methyl}(methyl)amino]ethanol 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 | 1303 |
Tandem Spectra | MS1, MS2, MS3, MS4 |
Ionization Methods | NSI |
Analyzers | FT |
Last Modification | 6/18/2021 6:30:08 AM |
InChI | InChI=1S/C25H38N4O2/c1-17(2)23-14-20(18(3)13-21(23)16-29(6)11-12-30)15-24-26-27-25(31-24)19-7-9-22(10-8-19)28(4)5/h7-10,13,17,20-21,23,30H,11-12,14-16H2,1-6H3/t20-,21-,23-/m0/s1 |
InChI Key | FLGFRJIKVGUPLG-FUDKSRODSA-N |
Canonical SMILES | CC1=CC(C(CC1CC2=NN=C(O2)C3=CC=C(C=C3)N(C)C)C(C)C)CN(C)CCO |
CAS | |
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Other Names |
Ethanol, 2-[[[(1S,4S,6S)-4-[[5-[4-(dimethylamino)phenyl]-1,3,4-oxadiazol-2-yl]methyl]-3-methyl-6-(1-methylethyl)-2-cyclohexen-1-yl]methyl]methylamino]-; NAT28-412604 |