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4H-Pyrrolo[3,2,1-ij]quinolin-4-one, 8-[[4-(2-fluorophenyl)-1-piperazinyl]sulfonyl]-1,2-dihydro-6-methyl-
SpectraBase Compound ID 9GS9fOmQxUW
InChI InChI=1S/C22H22FN3O3S/c1-15-12-21(27)26-7-6-16-13-17(14-18(15)22(16)26)30(28,29)25-10-8-24(9-11-25)20-5-3-2-4-19(20)23/h2-5,12-14H,6-11H2,1H3
InChIKey AZDQRMWBYBDKDJ-UHFFFAOYSA-N
Mol Weight 427.49 g/mol
Molecular Formula C22H22FN3O3S
Exact Mass 427.136591 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6j2kNktm1WJ
Name 4H-Pyrrolo[3,2,1-ij]quinolin-4-one, 8-[[4-(2-fluorophenyl)-1-piperazinyl]sulfonyl]-1,2-dihydro-6-methyl-
Alternate Name(s) 6-[4-(2-fluorophenyl)piperazine-1-sulfonyl]-9-methyl-1-azatricyclo[6.3.1.0(4,12)]dodeca-4,6,8(12),9-tetraen-11-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H22FN3O3S
InChI InChI=1S/C22H22FN3O3S/c1-15-12-21(27)26-7-6-16-13-17(14-18(15)22(16)26)30(28,29)25-10-8-24(9-11-25)20-5-3-2-4-19(20)23/h2-5,12-14H,6-11H2,1H3
InChIKey AZDQRMWBYBDKDJ-UHFFFAOYSA-N
Molecular Weight 427.494 g/mol
SMILES c1cccc(c1N1CCN(S(c2cc3CCN4c3c(c2)C(C)=CC4=O)(=O)=O)CC1)F
SPLASH splash10-056r-4900000000-8c1dbb28f2070f307177
Source of Spectrum IY-2-5054-9
Wiley ID 1658532