4-Fluoro-N-[7-hydroxy-8-(hydroxymethyl)-4a,8-dimethyl-4-{2-[methyl(2-propyn-1-yl)amino]-2-oxoethyl}-4,4a,5,6,7,8,8a,9-octahydronaphtho[2,3-d][1,3]thiazol-2-yl]benzamide

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Systematic / IUPAC Name: 4-Fluoro-N-[7-hydroxy-8-(hydroxymethyl)-4a,8-dimethyl-4-[2-[methyl(prop-2-ynyl)amino]-2-oxoethyl]-4,5,6,7,8a,9-hexahydrobenzo[f][1,3]benzothiazol-2-yl]benzamide

ID: Reference9001

Other Names: Naphtho[2,3-d]thiazole-4-acetamide, 2-[(4-fluorobenzoyl)amino]-4,4a,5,6,7,8,8a,9-octahydro-7-hydroxy-8-(hydroxymethyl)-N,4a,8-trimethyl-N-2-propyn-1-yl-;
NAT8-258853

Formula: C27H32FN3O4S

Spectral Data

4-Fluoro-N-[7-hydroxy-8-(hydroxymethyl)-4a,8-dimethyl-4-{2-[methyl(2-propyn-1-yl)amino]-2-oxoethyl}-4,4a,5,6,7,8,8a,9-octahydronaphtho[2,3-d][1,3]thiazol-2-yl]benzamide 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 1
No. of Spectra 2315
Tandem Spectra MS1, MS2, MS3, MS4, MS5, MS6, MS7
Ionization Methods NSI
Analyzers FT
Last Modification 10/14/2019 12:31:18 PM
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Identificators

InChI InChI=1S/C27H32FN3O4S/c1-5-12-31(4)22(34)13-18-23-19(14-20-26(18,2)11-10-21(33)27(20,3)15-32)36-25(29-23)30-24(35)16-6-8-17(28)9-7-16/h1,6-9,18,20-21,32-33H,10-15H2,2-4H3,(H,29,30,35)
InChI Key SHCVVFVBCABMSA-UHFFFAOYSA-N
Canonical SMILES CC12CCC(C(C1CC3=C(C2CC(=O)N(C)CC#C)N=C(S3)NC(=O)C4=CC=C(C=C4)F)(C)CO)O
CAS
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Other Names Naphtho[2,3-d]thiazole-4-acetamide, 2-[(4-fluorobenzoyl)amino]-4,4a,5,6,7,8,8a,9-octahydro-7-hydroxy-8-(hydroxymethyl)-N,4a,8-trimethyl-N-2-propyn-1-yl-;
NAT8-258853

In Other Databases

PubChem 5005426
ChemSpider 4185050