(8aR)-2-(4-Fluorobenzyl)-7-[4-(methylsulfonyl)benzyl]hexahydroimidazo[1,5-a]pyrazin-3(2H)-one
12576
Reference
(8aR)-2-(4-Fluorobenzyl)-7-[4-(methylsulfonyl)benzyl]hexahydroimidazo[1,5-a]pyrazin-3(2H)-one Structure
Systematic / IUPAC Name: (8aR)-2-[(4-Fluorophenyl)methyl]-7-[(4-methylsulfonylphenyl)methyl]-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one
ID: Reference12576
Other Names: NAT50-556992
Formula: C21H24FN3O3S
Spectral Data
(8aR)-2-(4-Fluorobenzyl)-7-[4-(methylsulfonyl)benzyl]hexahydroimidazo[1,5-a]pyrazin-3(2H)-one 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 | 2378 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 6/5/2023 2:39:03 PM |
Identificators
| InChI | InChI=1S/C21H24FN3O3S/c1-29(27,28)20-8-4-16(5-9-20)12-23-10-11-25-19(14-23)15-24(21(25)26)13-17-2-6-18(22)7-3-17/h2-9,19H,10-15H2,1H3/t19-/m1/s1 |
| InChI Key | ITRIIOWPBSMJCI-LJQANCHMSA-N |
| Canonical SMILES | CS(=O)(=O)C1=CC=C(C=C1)CN2CCN3C(C2)CN(C3=O)CC4=CC=C(C=C4)F |
| CAS | |
| Splash | |
| Other Names | NAT50-556992 |