(2S,5aS,8aR)-2-{3-[(2R)-2-(Methoxymethyl)-1-pyrrolidinyl]-3-oxopropyl}-1,6-dimethyloctahydropyrrolo[3,2-E][1,4]diazepin-5(2H)-one

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Systematic / IUPAC Name: (2S,5aS,8aR)-2-[3-[(2R)-2-(Methoxymethyl)pyrrolidin-1-yl]-3-oxopropyl]-1,6-dimethyl-3,4,5a,7,8,8a-hexahydro-2H-pyrrolo[3,2-E][1,4]diazepin-5-one

ID: Reference9655

Other Names: Pyrrolo[3,2-E]-1,4-diazepin-5(2H)-one, octahydro-2-[3-[(2R)-2-(methoxymethyl)-1-pyrrolidinyl]-3-oxopropyl]-1,6-dimethyl-, (2S,5aS,8aR)-;
NAT23-391296

Formula: C18H32N4O3

Spectral Data

(2S,5aS,8aR)-2-{3-[(2R)-2-(Methoxymethyl)-1-pyrrolidinyl]-3-oxopropyl}-1,6-dimethyloctahydropyrrolo[3,2-E][1,4]diazepin-5(2H)-one mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

View Mass Spectra

Available MS Data

Used Instruments Orbitrap Fusion Lumos with ETD LBP
No. of Spectral Trees 1
No. of Spectra 3088
Tandem Spectra MS1, MS2, MS3, MS4, MS5, MS6
Ionization Methods NSI
Analyzers FT
Last Modification 4/30/2020 6:07:34 PM
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Identificators

InChI InChI=1S/C18H32N4O3/c1-20-10-8-15-17(20)18(24)19-11-13(21(15)2)6-7-16(23)22-9-4-5-14(22)12-25-3/h13-15,17H,4-12H2,1-3H3,(H,19,24)/t13-,14+,15+,17-/m0/s1
InChI Key SLDLYILMFWNKDU-HWMZRRJGSA-N
Canonical SMILES CN1CCC2C1C(=O)NCC(N2C)CCC(=O)N3CCCC3COC
CAS
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Other Names Pyrrolo[3,2-E]-1,4-diazepin-5(2H)-one, octahydro-2-[3-[(2R)-2-(methoxymethyl)-1-pyrrolidinyl]-3-oxopropyl]-1,6-dimethyl-, (2S,5aS,8aR)-;
NAT23-391296

In Other Databases

ChemSpider 21383355
PubChem 45361190