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N-[2-[[9-(2-acetamidoethylamino)-5,10-bis(oxidanylidene)benzo[g]isoquinolin-6-yl]amino]ethyl]ethanamide
SpectraBase Compound ID 3xhhiuElEg9
InChI InChI=1S/C21H23N5O4/c1-12(27)23-7-9-25-16-3-4-17(26-10-8-24-13(2)28)19-18(16)20(29)14-5-6-22-11-15(14)21(19)30/h3-6,11,25-26H,7-10H2,1-2H3,(H,23,27)(H,24,28)
InChIKey BTQLZPWIAOAKLL-UHFFFAOYSA-N
Mol Weight 409.45 g/mol
Molecular Formula C21H23N5O4
Exact Mass 409.175004 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LZZUxUqghwd
Name N-[2-[[9-(2-acetamidoethylamino)-5,10-bis(oxidanylidene)benzo[g]isoquinolin-6-yl]amino]ethyl]ethanamide
Alternate Name(s) N-[2-[[9-(2-acetamidoethylamino)-5,10-diketo-benz[g]isoquinolin-6-yl]amino]ethyl]acetamide N-[2-[[9-(2-acetamidoethylamino)-5,10-dioxo-6-benzo[g]isoquinolinyl]amino]ethyl]acetamide N-[2-[[9-(2-acetamidoethylamino)-5,10-dioxo-benzo[g]isoquinolin-6-yl]amino]ethyl]acetamide
Comments Removed - unrepairable contamination (CH2Cl2)
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H23N5O4
InChI InChI=1S/C21H23N5O4/c1-12(27)23-7-9-25-16-3-4-17(26-10-8-24-13(2)28)19-18(16)20(29)14-5-6-22-11-15(14)21(19)30/h3-6,11,25-26H,7-10H2,1-2H3,(H,23,27)(H,24,28)
InChIKey BTQLZPWIAOAKLL-UHFFFAOYSA-N
Molecular Weight 409.446 g/mol
SMILES N(c1c2c(c(cc1)NCCNC(=O)C)C(c1c(C2=O)ccnc1)=O)CCNC(=O)C
SPLASH splash10-000i-9000000000-41c45aaf1332cfac563c
Source of Spectrum E1-37-833-3
Wiley ID 1574942