For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

N-(3-amino-3-imino-propyl)-1-methyl-4-[[1-methyl-4-[(1-methyl-4-nitro-pyrrole-2-carbonyl)amino]pyrrole-2-carbonyl]amino]pyrrole-2-carboxamide

View entire compound with spectra: 1 MS (GC)

N-(3-amino-3-imino-propyl)-1-methyl-4-[[1-methyl-4-[(1-methyl-4-nitro-pyrrole-2-carbonyl)amino]pyrrole-2-carbonyl]amino]pyrrole-2-carboxamide
SpectraBase Compound ID BD2TZy4poXI
InChI InChI=1S/C21H25N9O5/c1-27-9-12(6-15(27)19(31)24-5-4-18(22)23)25-20(32)16-7-13(10-28(16)2)26-21(33)17-8-14(30(34)35)11-29(17)3/h6-11H,4-5H2,1-3H3,(H3,22,23)(H,24,31)(H,25,32)(H,26,33)
InChIKey XYQGYGFXXBFQKC-UHFFFAOYSA-N
Mol Weight 483.49 g/mol
Molecular Formula C21H25N9O5
Exact Mass 483.197865 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 9PWs61NBIIb
Name N-(3-amino-3-imino-propyl)-1-methyl-4-[[1-methyl-4-[(1-methyl-4-nitro-pyrrole-2-carbonyl)amino]pyrrole-2-carbonyl]amino]pyrrole-2-carboxamide
CAS Registry Number 6576-50-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H25N9O5
InChI InChI=1S/C21H25N9O5/c1-27-9-12(6-15(27)19(31)24-5-4-18(22)23)25-20(32)16-7-13(10-28(16)2)26-21(33)17-8-14(30(34)35)11-29(17)3/h6-11H,4-5H2,1-3H3,(H3,22,23)(H,24,31)(H,25,32)(H,26,33)
InChIKey XYQGYGFXXBFQKC-UHFFFAOYSA-N
Molecular Weight 483.489 g/mol
SMILES N(c1cc(C(Nc2cc(C(=O)NCCC(=N)N)[n](c2)C)=O)[n](c1)C)C(c1cc(N(=O)=O)c[n]1C)=O
SPLASH splash10-004l-0092300000-e8fd69ad4ab286d2426a
Source of Spectrum F-34-2391-0
Synonyms N-(3-amino-3-iminopropyl)-1-methyl-4-[[[1-methyl-4-[[(1-methyl-4-nitro-2-pyrrolyl)-oxomethyl]amino]-2-pyrrolyl]-oxomethyl]amino]-2-pyrrolecarboxamide N-(3-azanyl-3-azanylidene-propyl)-1-methyl-4-[[1-methyl-4-[(1-methyl-4-nitro-pyrrol-2-yl)carbonylamino]pyrrol-2-yl]carbonylamino]pyrrole-2-carboxamide
Wiley ID 1395778