Systematic / IUPAC Name: N,N-Dimethyl-4-[5-[[(1S,4S,5S)-2-methyl-4-[(4-methylpiperazin-1-yl)methyl]-5-propan-2-ylcyclohex-2-en-1-yl]methyl]-1,3,4-oxadiazol-2-yl]aniline
ID: Reference10550
Other Names:
Benzenamine, N,N-dimethyl-4-[5-[[(1S,4S,5S)-2-methyl-5-(1-methylethyl)-4-[(4-methyl-1-piperazinyl)methyl]-2-cyclohexen-1-yl]methyl]-1,3,4-oxadiazol-2-yl]-;
NAT28-412607
Formula: C27H41N5O
4-[5-({(1S,4S,5S)-5-Isopropyl-2-methyl-4-[(4-methyl-1-piperazinyl)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 | 1550 |
Tandem Spectra | MS1, MS2, MS3, MS4 |
Ionization Methods | NSI |
Analyzers | FT |
Last Modification | 6/11/2021 10:46:57 AM |
InChI | InChI=1S/C27H41N5O/c1-19(2)25-16-22(20(3)15-23(25)18-32-13-11-31(6)12-14-32)17-26-28-29-27(33-26)21-7-9-24(10-8-21)30(4)5/h7-10,15,19,22-23,25H,11-14,16-18H2,1-6H3/t22-,23-,25-/m0/s1 |
InChI Key | SBJZLXFKQWHPKA-LSQMVHIFSA-N |
Canonical SMILES | CC1=CC(C(CC1CC2=NN=C(O2)C3=CC=C(C=C3)N(C)C)C(C)C)CN4CCN(CC4)C |
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Other Names |
Benzenamine, N,N-dimethyl-4-[5-[[(1S,4S,5S)-2-methyl-5-(1-methylethyl)-4-[(4-methyl-1-piperazinyl)methyl]-2-cyclohexen-1-yl]methyl]-1,3,4-oxadiazol-2-yl]-; NAT28-412607 |