N-(2-Furylmethyl)-3-[(2S,5aS,8aR)-1-methyl-5-oxodecahydropyrrolo[3,2-E][1,4]diazepin-2-yl]propanamide

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Systematic / IUPAC Name: 3-[(2S,5aS,8aR)-1-Methyl-5-oxo-2,3,4,5a,6,7,8,8a-octahydropyrrolo[3,2-E][1,4]diazepin-2-yl]-N-(furan-2-ylmethyl)propanamide

ID: Reference10261

Other Names: Pyrrolo[3,2-E]-1,4-diazepine-2-propanamide, N-(2-furanylmethyl)decahydro-1-methyl-5-oxo-, (2S,5aS,8aR)-;
NAT23-390804

Formula: C16H24N4O3

Spectral Data

N-(2-Furylmethyl)-3-[(2S,5aS,8aR)-1-methyl-5-oxodecahydropyrrolo[3,2-E][1,4]diazepin-2-yl]propanamide 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 1
No. of Spectra 1360
Tandem Spectra MS1, MS2, MS3, MS4, MS5
Ionization Methods NSI
Analyzers FT
Last Modification 2/26/2021 10:58:49 AM
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Identificators

InChI InChI=1S/C16H24N4O3/c1-20-11(9-19-16(22)15-13(20)6-7-17-15)4-5-14(21)18-10-12-3-2-8-23-12/h2-3,8,11,13,15,17H,4-7,9-10H2,1H3,(H,18,21)(H,19,22)/t11-,13+,15-/m0/s1
InChI Key SYFIXHYEHHLRGF-LNSITVRQSA-N
Canonical SMILES CN1C2CCNC2C(=O)NCC1CCC(=O)NCC3=CC=CO3
CAS
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Other Names Pyrrolo[3,2-E]-1,4-diazepine-2-propanamide, N-(2-furanylmethyl)decahydro-1-methyl-5-oxo-, (2S,5aS,8aR)-;
NAT23-390804

In Other Databases

ChemSpider 21382995
PubChem 45360831