NVP-231

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Systematic / IUPAC Name: (3R,5R)-N-[2-(Benzoylamino)-1,3-benzothiazol-6-yl]-1-adamantanecarboxamide

ID: Reference4431

Other Names: N-[2-(Benzoylamino)-6-benzothiazolyl]-tricyclo[3.3.1.13,7]decane-1-carboxamide ;
Tricyclo[3.3.1.13,7]decane-1-carboxamide, N-[2-(benzoylamino)-6-benzothiazolyl], (3R,5R)-

Formula: C25H25N3O2S

Class: Endogenous Metabolites

Spectral Data

NVP-231 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 Elite
No. of Spectral Trees 1
No. of Spectra 544
Tandem Spectra MS1, MS2, MS3
Ionization Methods NSI
Analyzers IT; FT
Last Modification 4/6/2016 8:27:33 AM
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Identificators

InChI InChI=1S/C25H25N3O2S/c29-22(18-4-2-1-3-5-18)28-24-27-20-7-6-19(11-21(20)31-24)26-23(30)25-12-15-8-16(13-25)10-17(9-15)14-25/h1-7,11,15-17H,8-10,12-14H2,(H,26,30)(H,27,28,29)/t15-,16-,17?,25?/m1/s1
InChI Key MVSSJPGNLQPWSW-FGUCWDTJSA-N
Canonical SMILES O=C(C1(C[C@@H](C2)C3)C[C@H]3CC2C1)NC4=CC(SC(NC(C5=CC=CC=C5)=O)=N6)=C6C=C4
CAS 362003836
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Other Names N-[2-(Benzoylamino)-6-benzothiazolyl]-tricyclo[3.3.1.13,7]decane-1-carboxamide ;
Tricyclo[3.3.1.13,7]decane-1-carboxamide, N-[2-(benzoylamino)-6-benzothiazolyl], (3R,5R)-

In Other Databases

PubChem 4096211
ChemSpider 29342174