(8aS)-7-(Methylsulfonyl)-2-(2-pyridinylmethyl)hexahydroimidazo[1,5-a]pyrazin-3(2H)-one
11728
Reference
(8aS)-7-(Methylsulfonyl)-2-(2-pyridinylmethyl)hexahydroimidazo[1,5-a]pyrazin-3(2H)-one Structure
Systematic / IUPAC Name: (8aS)-7-Methylsulfonyl-2-(pyridin-2-ylmethyl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one
ID: Reference11728
Other Names: NAT50-554922
Formula: C13H18N4O3S
Spectral Data
(8aS)-7-(Methylsulfonyl)-2-(2-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 | 595 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 9/6/2022 8:53:45 AM |
Identificators
| InChI | InChI=1S/C13H18N4O3S/c1-21(19,20)16-6-7-17-12(10-16)9-15(13(17)18)8-11-4-2-3-5-14-11/h2-5,12H,6-10H2,1H3/t12-/m0/s1 |
| InChI Key | LIGNCQQLGUGNCR-LBPRGKRZSA-N |
| Canonical SMILES | CS(=O)(=O)N1CCN2C(C1)CN(C2=O)CC3=CC=CC=N3 |
| CAS | |
| Splash | |
| Other Names | NAT50-554922 |