N-[(6aS,8S)-2-Bromo-6,12-dioxo-5,6,6a,7,8,9,10,12-octahydropyrido[2,1-c][1,4]benzodiazepin-8-yl]methanesulfonamide

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Systematic / IUPAC Name: N-[(6aS,8S)-2-Bromo-6,12-dioxo-5,6a,7,8,9,10-hexahydropyrido[2,1-c][1,4]benzodiazepin-8-yl]methanesulfonamide

ID: Reference9021

Other Names: Methanesulfonamide, N-[(6aS,8S)-2-bromo-5,6,6a,7,8,9,10,12-octahydro-6,12-dioxopyrido[2,1-c][1,4]benzodiazepin-8-yl]-;
NAT7-329979

Formula: C14H16BrN3O4S

Spectral Data

N-[(6aS,8S)-2-Bromo-6,12-dioxo-5,6,6a,7,8,9,10,12-octahydropyrido[2,1-c][1,4]benzodiazepin-8-yl]methanesulfonamide 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 FAIMS
No. of Spectral Trees 2
No. of Spectra 2917
Tandem Spectra MS1, MS2, MS3, MS4, MS5, MS6
Ionization Methods NSI
Analyzers FT
Last Modification 10/17/2019 8:19:21 AM
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Identificators

InChI InChI=1S/C14H16BrN3O4S/c1-23(21,22)17-9-4-5-18-12(7-9)13(19)16-11-3-2-8(15)6-10(11)14(18)20/h2-3,6,9,12,17H,4-5,7H2,1H3,(H,16,19)/t9-,12-/m0/s1
InChI Key STSKSAJWHXYNME-CABZTGNLSA-N
Canonical SMILES CS(=O)(=O)NC1CCN2C(C1)C(=O)NC3=C(C2=O)C=C(C=C3)Br
CAS
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Other Names Methanesulfonamide, N-[(6aS,8S)-2-bromo-5,6,6a,7,8,9,10,12-octahydro-6,12-dioxopyrido[2,1-c][1,4]benzodiazepin-8-yl]-;
NAT7-329979

In Other Databases

PubChem 9424479
ChemSpider 7707746