PharmaGSID 48172

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Systematic / IUPAC Name: 2-(2-{5-[5-(1-Azepanylmethyl)-2-thienyl]-1,2,4-oxadiazol-3-yl}ethyl)-1H-isoindole-1,3(2H)-dione

ID: Reference2801

Other Names: 1H-Isoindole-1,3(2H)-dione, 2-[2-(5-{5-[(hexahydro-1H-azepin-1-yl)methyl]-2-thienyl}-1,2,4-oxadiazol-3-yl)ethyl]-

Formula: C23H24N4O3S

Spectral Data

PharmaGSID 48172 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 118
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 9/29/2015 12:57:32 PM
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Identificators

InChI InChI=1S/C23H24N4O3S/c28-22-17-7-3-4-8-18(17)23(29)27(22)14-11-20-24-21(30-25-20)19-10-9-16(31-19)15-26-12-5-1-2-6-13-26/h3-4,7-10H,1-2,5-6,11-15H2
InChI Key QUKKMGJVXHURCY-UHFFFAOYSA-N
Canonical SMILES C1CCCN(CC1)CC2=CC=C(S2)C3=NC(=NO3)CCN4C(=O)C5=CC=CC=C5C4=O
CAS
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Other Names 1H-Isoindole-1,3(2H)-dione, 2-[2-(5-{5-[(hexahydro-1H-azepin-1-yl)methyl]-2-thienyl}-1,2,4-oxadiazol-3-yl)ethyl]-

In Other Databases

ChemSpider 8000092
ChEMBL CHEMBL3301767
PubChem 9824345