(12aR)-2-[(4R)-1,3-Thiazolidin-4-ylcarbonyl]-8-[3-(trifluoromethyl)phenyl]-1,3,4,12a-tetrahydropyrazino[2,1-c][1,4]benzodiazepine-6,12(2H,11H)-dione

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Systematic / IUPAC Name: (4aR)-3-[(4R)-1,3-Thiazolidine-4-carbonyl]-9-[3-(trifluoromethyl)phenyl]-2,4,4a,6-tetrahydro-1H-pyrazino[2,1-c][1,4]benzodiazepine-5,11-dione

ID: Reference12303

Other Names: NAT9-273093

Formula: C23H21F3N4O3S

Spectral Data

(12aR)-2-[(4R)-1,3-Thiazolidin-4-ylcarbonyl]-8-[3-(trifluoromethyl)phenyl]-1,3,4,12a-tetrahydropyrazino[2,1-c][1,4]benzodiazepine-6,12(2H,11H)-dione 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 955
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 2/27/2023 1:14:12 PM
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Identificators

InChI InChI=1S/C23H21F3N4O3S/c24-23(25,26)15-3-1-2-13(8-15)14-4-5-17-16(9-14)21(32)30-7-6-29(10-19(30)20(31)28-17)22(33)18-11-34-12-27-18/h1-5,8-9,18-19,27H,6-7,10-12H2,(H,28,31)/t18-,19+/m0/s1
InChI Key MEOQFMGKQIYVJD-RBUKOAKNSA-N
Canonical SMILES C1CN2C(CN1C(=O)C3CSCN3)C(=O)NC4=C(C2=O)C=C(C=C4)C5=CC(=CC=C5)C(F)(F)F
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Other Names NAT9-273093

In Other Databases

ChemSpider 10058565
PubChem 11884237