2-[(1S,4S,5S)-5-Isopropyl-4-({[(3-methoxyphenyl)carbamoyl]amino}methyl)-2-methyl-2-cyclohexen-1-yl]-N-(2-pyridinylmethyl)acetamide

enlarge

Systematic / IUPAC Name: 2-[(1S,4S,5S)-4-[[(3-Methoxyphenyl)carbamoylamino]methyl]-2-methyl-5-propan-2-ylcyclohex-2-en-1-yl]-N-(pyridin-2-ylmethyl)acetamide

ID: Reference10427

Other Names: NAT28-405622

Formula: C27H36N4O3

Spectral Data

2-[(1S,4S,5S)-5-Isopropyl-4-({[(3-methoxyphenyl)carbamoyl]amino}methyl)-2-methyl-2-cyclohexen-1-yl]-N-(2-pyridinylmethyl)acetamide mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

View Mass Spectra

Available MS Data

Used Instruments Orbitrap Fusion Lumos with ETD LBP
No. of Spectral Trees 1
No. of Spectra 920
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 4/30/2021 8:24:57 AM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C27H36N4O3/c1-18(2)25-13-20(14-26(32)29-17-23-8-5-6-11-28-23)19(3)12-21(25)16-30-27(33)31-22-9-7-10-24(15-22)34-4/h5-12,15,18,20-21,25H,13-14,16-17H2,1-4H3,(H,29,32)(H2,30,31,33)/t20-,21-,25-/m0/s1
InChI Key HKZDKMCNLKVWCR-WATLYSKOSA-N
Canonical SMILES CC1=CC(C(CC1CC(=O)NCC2=CC=CC=N2)C(C)C)CNC(=O)NC3=CC(=CC=C3)OC
CAS
Splash
Other Names NAT28-405622

In Other Databases

ChemSpider 22937142
PubChem 38028272