1-Allyl-3-[(2S,11aS)-5,11-dioxo-2,3,5,10,11,11a-hexahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-2-yl]urea

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Systematic / IUPAC Name: 1-[(6aS,8S)-6,11-Dioxo-6a,7,8,9-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepin-8-yl]-3-prop-2-enylurea

ID: Reference10484

Other Names: Urea, N-[(2S,11aS)-2,3,5,10,11,11a-hexahydro-5,11-dioxo-1H-pyrrolo[2,1-c][1,4]benzodiazepin-2-yl]-N'-2-propen-1-yl-;
NAT3-328338

Formula: C16H18N4O3

Spectral Data

1-Allyl-3-[(2S,11aS)-5,11-dioxo-2,3,5,10,11,11a-hexahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-2-yl]urea 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 3560
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 5/21/2021 12:41:27 PM
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Identificators

InChI InChI=1S/C16H18N4O3/c1-2-7-17-16(23)18-10-8-13-14(21)19-12-6-4-3-5-11(12)15(22)20(13)9-10/h2-6,10,13H,1,7-9H2,(H,19,21)(H2,17,18,23)/t10-,13-/m0/s1
InChI Key UZZNIELIVYEWBD-GWCFXTLKSA-N
Canonical SMILES C=CCNC(=O)NC1CC2C(=O)NC3=CC=CC=C3C(=O)N2C1
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Other Names Urea, N-[(2S,11aS)-2,3,5,10,11,11a-hexahydro-5,11-dioxo-1H-pyrrolo[2,1-c][1,4]benzodiazepin-2-yl]-N'-2-propen-1-yl-;
NAT3-328338

In Other Databases

PubChem 9422045
ChemSpider 7706728