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2-Amino-1-methyl-5H-pyrido[4,3-b]indol-2-nium mesitylenesulfonate
SpectraBase Compound ID BLpE8N7lOQ
InChI InChI=1S/C12H11N3.C9H12O3S/c1-8-12-9-4-2-3-5-10(9)14-11(12)6-7-15(8)13;1-6-4-7(2)9(8(3)5-6)13(10,11)12/h2-7H,13H2,1H3;4-5H,1-3H3,(H,10,11,12)
InChIKey DSGSXTINIUXLEN-UHFFFAOYSA-N
Mol Weight 397.49 g/mol
Molecular Formula C21H23N3O3S
Exact Mass 397.146013 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AzmQpjFbquO
Name 2-Amino-1-methyl-5H-pyrido[4,3-b]indol-2-nium mesitylenesulfonate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H23N3O3S
InChI InChI=1S/C12H11N3.C9H12O3S/c1-8-12-9-4-2-3-5-10(9)14-11(12)6-7-15(8)13;1-6-4-7(2)9(8(3)5-6)13(10,11)12/h2-7H,13H2,1H3;4-5H,1-3H3,(H,10,11,12)
InChIKey DSGSXTINIUXLEN-UHFFFAOYSA-N
Molecular Weight 397.493 g/mol
SMILES [nH]1c2c(c3c([n+](ccc13)N)C)cccc2.c1(S([O-])(=O)=O)c(cc(C)cc1C)C
SPLASH splash10-001j-1903000000-1543e62acacea0270890
Source of Spectrum J-64-3913-2
Synonyms 1-Methyl-5H-pyrido[4,3-b]indol-2-ium-2-amine;2,4,6-trimethylbenzenesulfonate
Wiley ID 1530214