Dataset

electrospray ionisation time-of-flight quadrupole detection (ESI Q-TOF)

dataset for electrospray ionisation time-of-flight quadrupole detection (ESI Q-TOF)

Chemical Information

molecular Image
InChI InChI=1S/C26H30N2O2S2.2BrH/c1-19(29)31-13-5-3-11-27-15-21-7-9-23-17-28(12-4-6-14-32-20(2)30)18-24-10-8-22(16-27)25(21)26(23)24;;/h7-10,15-18H,3-6,11-14H2,1-2H3;2*1H/q+2;;/p-2
SMILES CC(=O)SCCCC[n+]1cc2ccc3c4c2c(c1)ccc4c[n+](c3)CCCCSC(=O)C.[Br-].[Br-]
InChI Key LNNFMCALYYMVHT-UHFFFAOYSA-L
Molecular Formula C26H30Br2N2O2S2
Exact Mass 626.467 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/LNNFMCALYYMVHT-UHFFFAOYSA-L/CHMO0002338
License URL
Source https://www.chemotion-repository.net/inchikey/LNNFMCALYYMVHT-UHFFFAOYSA-L/CHMO0002338
Version
Author Joana Krämer
Maintainer Chemotion Repository
Language english
MetadataPublished 2022-10-13
Related Molecule
  • S-[4-[13-(4-acetylsulfanylbutyl)-6,13-diazoniatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),2,4,6,8(16),9,11(15),12-octaen-6-yl]butyl] ethanethioate;dibromide
    • Field Value
    Measurement Technique electrospray ionisation time-of-flight quadrupole detection
    Measurement Variables
    Data-Source Molecule ID Data-Source
    165369103 PubChem
    The data in this table is sourced from UniChem at EBI.