Systematic / IUPAC Name: N-[(3R,8S,9aS)-3-(1H-Indol-3-ylmethyl)-1,4-dioxo-3,6,7,8,9,9a-hexahydro-2H-pyrido[1,2-a]pyrazin-8-yl]-2-(benzenesulfonyl)acetamide
ID: Reference10558
Other Names:
Acetamide, N-[(3R,8S,9aS)-octahydro-3-(1H-indol-3-ylmethyl)-1,4-dioxo-2H-pyrido[1,2-a]pyrazin-8-yl]-2-(phenylsulfonyl)-;
NAT7-259555
Formula: C25H26N4O5S
N-[(3R,8S,9aS)-3-(1H-Indol-3-ylmethyl)-1,4-dioxooctahydro-2H-pyrido[1,2-a]pyrazin-8-yl]-2-(phenylsulfonyl)acetamide mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.
Used Instruments | Orbitrap Fusion Lumos with ETD LBP |
No. of Spectral Trees | 2 |
No. of Spectra | 4627 |
Tandem Spectra | MS1, MS2, MS3, MS4 |
Ionization Methods | NSI |
Analyzers | FT |
Last Modification | 6/18/2021 7:48:44 AM |
InChI | InChI=1S/C25H26N4O5S/c30-23(15-35(33,34)18-6-2-1-3-7-18)27-17-10-11-29-22(13-17)24(31)28-21(25(29)32)12-16-14-26-20-9-5-4-8-19(16)20/h1-9,14,17,21-22,26H,10-13,15H2,(H,27,30)(H,28,31)/t17-,21+,22-/m0/s1 |
InChI Key | BTXSGUZPHARYRM-WTOYTKOKSA-N |
Canonical SMILES | C1CN2C(CC1NC(=O)CS(=O)(=O)C3=CC=CC=C3)C(=O)NC(C2=O)CC4=CNC5=CC=CC=C54 |
CAS | |
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Other Names |
Acetamide, N-[(3R,8S,9aS)-octahydro-3-(1H-indol-3-ylmethyl)-1,4-dioxo-2H-pyrido[1,2-a]pyrazin-8-yl]-2-(phenylsulfonyl)-; NAT7-259555 |