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2-[4-(2-amino-propylamino)-6-tetradecylamino-[1,3,5]triazin-2-ylamino]-ethanethiol bis trifluoroacetic acid salt
SpectraBase Compound ID 54c2I6rQeuF
InChI InChI=1S/C22H45N7S.2C2HF3O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-24-20-27-21(25-17-14-15-23)29-22(28-20)26-18-19-30;2*3-2(4,5)1(6)7/h30H,2-19,23H2,1H3,(H3,24,25,26,27,28,29);2*(H,6,7)
InChIKey ZXTJOHRDEHSNTI-UHFFFAOYSA-N
Mol Weight 667.757 g/mol
Molecular Formula C26H47F6N7O4S
Exact Mass 667.331443 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4HuKof50a0Z
Name 2-[4-(2-amino-propylamino)-6-tetradecylamino-[1,3,5]triazin-2-ylamino]-ethanethiol bis trifluoroacetic acid salt
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H47F6N7O4S
InChI InChI=1S/C22H45N7S.2C2HF3O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-24-20-27-21(25-17-14-15-23)29-22(28-20)26-18-19-30;2*3-2(4,5)1(6)7/h30H,2-19,23H2,1H3,(H3,24,25,26,27,28,29);2*(H,6,7)
InChIKey ZXTJOHRDEHSNTI-UHFFFAOYSA-N
Literature Reference DOI 10.1002/cmdc.200600267
Molecular Weight 667.757 g/mol
SMILES OC(C(F)(F)F)=O.N(c1nc(nc(n1)NCCCCCCCCCCCCCC)NCCCN)CCS.OC(C(F)(F)F)=O
SPLASH splash10-0a4r-4706900000-6bcc82791ac95fe92051
Source of Spectrum CMC-2-292/SM6-4
Synonyms 2-((4-((3-aminopropyl)amino)-6-(tetradecylamino)-1,3,5-triazin-2-yl)amino)ethanethiol bis(2,2,2-trifluoroacetate)
Wiley ID 1771464