(8aS)-7-(Benzylsulfonyl)-2-(3-pyridinylmethyl)hexahydroimidazo[1,5-a]pyrazin-3(2H)-one
13044
Reference
(8aS)-7-(Benzylsulfonyl)-2-(3-pyridinylmethyl)hexahydroimidazo[1,5-a]pyrazin-3(2H)-one Structure
Systematic / IUPAC Name: (8aS)-7-Benzylsulfonyl-2-(pyridin-3-ylmethyl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one
ID: Reference13044
Other Names: NAT50-554832
Formula: C19H22N4O3S
Spectral Data
(8aS)-7-(Benzylsulfonyl)-2-(3-pyridinylmethyl)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 | 1090 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 2/29/2024 9:33:32 AM |
Identificators
| InChI | InChI=1S/C19H22N4O3S/c24-19-21(12-17-7-4-8-20-11-17)13-18-14-22(9-10-23(18)19)27(25,26)15-16-5-2-1-3-6-16/h1-8,11,18H,9-10,12-15H2/t18-/m0/s1 |
| InChI Key | DEECOFHJCAGMCI-SFHVURJKSA-N |
| Canonical SMILES | C1CN2C(CN1S(=O)(=O)CC3=CC=CC=C3)CN(C2=O)CC4=CN=CC=C4 |
| CAS | |
| Splash | |
| Other Names | NAT50-554832 |