2-[(1S,4S,5S)-4-({[(3-Fluorophenyl)carbamoyl]amino}methyl)-5-isopropyl-2-methyl-2-cyclohexen-1-yl]-N-methyl-N-(3-pyridinylmethyl)acetamide
10445
Reference
2-[(1S,4S,5S)-4-({[(3-Fluorophenyl)carbamoyl]amino}methyl)-5-isopropyl-2-methyl-2-cyclohexen-1-yl]-N-methyl-N-(3-pyridinylmethyl)acetamide Structure
Systematic / IUPAC Name: 2-[(1S,4S,5S)-4-[[(3-Fluorophenyl)carbamoylamino]methyl]-2-methyl-5-propan-2-ylcyclohex-2-en-1-yl]-N-methyl-N-(pyridin-3-ylmethyl)acetamide
ID: Reference10445
Other Names: NAT28-408095
Formula: C27H35FN4O2
Spectral Data
2-[(1S,4S,5S)-4-({[(3-Fluorophenyl)carbamoyl]amino}methyl)-5-isopropyl-2-methyl-2-cyclohexen-1-yl]-N-methyl-N-(3-pyridinylmethyl)acetamide mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.
Available MS Data
| Used Instruments | Orbitrap Fusion Lumos with ETD LBP |
| No. of Spectral Trees | 1 |
| No. of Spectra | 2140 |
| Tandem Spectra | MS1, MS2, MS3, MS4, MS5 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 5/6/2021 12:57:33 PM |
Identificators
| InChI | InChI=1S/C27H35FN4O2/c1-18(2)25-12-21(13-26(33)32(4)17-20-7-6-10-29-15-20)19(3)11-22(25)16-30-27(34)31-24-9-5-8-23(28)14-24/h5-11,14-15,18,21-22,25H,12-13,16-17H2,1-4H3,(H2,30,31,34)/t21-,22-,25-/m0/s1 |
| InChI Key | VPVSPBNEAOBJBQ-HWBMXIPRSA-N |
| Canonical SMILES | CC1=CC(C(CC1CC(=O)N(C)CC2=CN=CC=C2)C(C)C)CNC(=O)NC3=CC(=CC=C3)F |
| CAS | |
| Splash | |
| Other Names | NAT28-408095 |