6-[(4-Bromobenzyl)thio]-3-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydro-1,3,5-triazine

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Systematic / IUPAC Name: 6-[(4-Bromobenzyl)sulfanyl]-3-(3-pyridinylmethyl)-1,2,3,4-tetrahydro-1,3,5-triazine

ID: Reference6411

Other Names: 1,3,5-Triazine, 4-{[(4-bromophenyl)methyl]thio}-1,2,3,6-tetrahydro-1-(3-pyridinylmethyl)-

Formula: C16H17BrN4S

Spectral Data

6-[(4-Bromobenzyl)thio]-3-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydro-1,3,5-triazine 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 Q Exactive Orbitrap
No. of Spectral Trees 1
No. of Spectra 119
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 3/1/2017 1:43:41 PM
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Identificators

InChI InChI=1S/C16H17BrN4S/c17-15-5-3-13(4-6-15)10-22-16-19-11-21(12-20-16)9-14-2-1-7-18-8-14/h1-8H,9-12H2,(H,19,20)
InChI Key QGARWQFYOMNBPJ-UHFFFAOYSA-N
Canonical SMILES C1NC(=NCN1CC2=CN=CC=C2)SCC3=CC=C(C=C3)Br
CAS
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Other Names 1,3,5-Triazine, 4-{[(4-bromophenyl)methyl]thio}-1,2,3,6-tetrahydro-1-(3-pyridinylmethyl)-

In Other Databases

ChemSpider 2102232
PubChem 2824037