N-[(3R,8S,9aS)-3-Isobutyl-1,4-dioxooctahydro-2H-pyrido[1,2-a]pyrazin-8-yl]-2-methoxy-4-(methylsulfanyl)benzamide

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Systematic / IUPAC Name: N-[(3R,8S,9aS)-3-(2-Methylpropyl)-1,4-dioxo-3,6,7,8,9,9a-hexahydro-2H-pyrido[1,2-a]pyrazin-8-yl]-2-methoxy-4-methylsulfanylbenzamide

ID: Reference10539

Other Names: Benzamide, 2-methoxy-4-(methylthio)-N-[(3R,8S,9aS)-octahydro-3-(2-methylpropyl)-1,4-dioxo-2H-pyrido[1,2-a]pyrazin-8-yl]-;
NAT7-259582

Formula: C21H29N3O4S

Spectral Data

N-[(3R,8S,9aS)-3-Isobutyl-1,4-dioxooctahydro-2H-pyrido[1,2-a]pyrazin-8-yl]-2-methoxy-4-(methylsulfanyl)benzamide mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Orbitrap Fusion Lumos with ETD LBP
No. of Spectral Trees 2
No. of Spectra 2105
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 6/11/2021 11:55:45 AM
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Identificators

InChI InChI=1S/C21H29N3O4S/c1-12(2)9-16-21(27)24-8-7-13(10-17(24)20(26)23-16)22-19(25)15-6-5-14(29-4)11-18(15)28-3/h5-6,11-13,16-17H,7-10H2,1-4H3,(H,22,25)(H,23,26)/t13-,16+,17-/m0/s1
InChI Key OKYQOENYDSRLNT-XKQJLSEDSA-N
Canonical SMILES CC(C)CC1C(=O)N2CCC(CC2C(=O)N1)NC(=O)C3=C(C=C(C=C3)SC)OC
CAS
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Other Names Benzamide, 2-methoxy-4-(methylthio)-N-[(3R,8S,9aS)-octahydro-3-(2-methylpropyl)-1,4-dioxo-2H-pyrido[1,2-a]pyrazin-8-yl]-;
NAT7-259582

In Other Databases

ChemSpider 10041444
PubChem 11867111