1-{[(1S,4S,6S)-6-Isopropyl-3-methyl-4-{[5-(4-pyridinyl)-1,3,4-oxadiazol-2-yl]methyl}-2-cyclohexen-1-yl]methyl}-3-phenylurea

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Systematic / IUPAC Name: 1-[[(1S,4S,6S)-3-Methyl-6-propan-2-yl-4-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)methyl]cyclohex-2-en-1-yl]methyl]-3-phenylurea

ID: Reference9636

Other Names: Urea, N-[[(1S,4S,6S)-3-methyl-6-(1-methylethyl)-4-[[5-(4-pyridinyl)-1,3,4-oxadiazol-2-yl]methyl]-2-cyclohexen-1-yl]methyl]-N'-phenyl-;
NAT28-416642

Formula: C26H31N5O2

Spectral Data

1-{[(1S,4S,6S)-6-Isopropyl-3-methyl-4-{[5-(4-pyridinyl)-1,3,4-oxadiazol-2-yl]methyl}-2-cyclohexen-1-yl]methyl}-3-phenylurea mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Orbitrap Fusion Lumos with ETD LBP
No. of Spectral Trees 2
No. of Spectra 2609
Tandem Spectra MS1, MS2, MS3, MS4, MS5, MS6
Ionization Methods NSI
Analyzers FT
Last Modification 4/24/2020 12:51:10 PM
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Identificators

InChI InChI=1S/C26H31N5O2/c1-17(2)23-14-20(15-24-30-31-25(33-24)19-9-11-27-12-10-19)18(3)13-21(23)16-28-26(32)29-22-7-5-4-6-8-22/h4-13,17,20-21,23H,14-16H2,1-3H3,(H2,28,29,32)/t20-,21-,23-/m0/s1
InChI Key NGIDFQFBAZNMCF-FUDKSRODSA-N
Canonical SMILES CC1=CC(C(CC1CC2=NN=C(O2)C3=CC=NC=C3)C(C)C)CNC(=O)NC4=CC=CC=C4
CAS
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Other Names Urea, N-[[(1S,4S,6S)-3-methyl-6-(1-methylethyl)-4-[[5-(4-pyridinyl)-1,3,4-oxadiazol-2-yl]methyl]-2-cyclohexen-1-yl]methyl]-N'-phenyl-;
NAT28-416642

In Other Databases

PubChem 45784152
ChemSpider 29849487