MF498

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Systematic / IUPAC Name: N-{[4-(5,9-Diethoxy-6-oxo-6,8-dihydro-7H-pyrrolo[3,4-g]quinolin-7-yl)-3-methylbenzyl]sulfonyl}-2-(2-methoxyphenyl)acetamide

ID: Reference4430

Other Names: C528911;
MF498;
N-{[4-(5,9-Diethoxy-6-oxo-6H-pyrrolo[3,4-g]quinolin-7(8H)-yl)-3-methylbenzyl]sulfonyl}-2-(2-methoxyphenyl)acetamide ;
N-{[4-(5,9-Diethoxy-6-oxo-8H-pyrrolo[3,4-g]quinolin-7-yl)-3-methylphenyl]methylsulfonyl}-2-(2-methoxyphenyl)acetamide

Formula: C32H33N3O7S

Class: Endogenous Metabolites

Spectral Data

MF498 mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Orbitrap Elite
No. of Spectral Trees 1
No. of Spectra 8590
Tandem Spectra MS1, MS2, MS3, MS4, MS5, MS6
Ionization Methods NSI
Analyzers IT; FT
Last Modification 4/6/2016 7:39:59 AM
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Identificators

InChI InChI=1S/C32H33N3O7S/c1-5-41-30-23-11-9-15-33-29(23)31(42-6-2)24-18-35(32(37)28(24)30)25-14-13-21(16-20(25)3)19-43(38,39)34-27(36)17-22-10-7-8-12-26(22)40-4/h7-16H,5-6,17-19H2,1-4H3,(H,34,36)
InChI Key WVLIUERFVJYBNY-UHFFFAOYSA-N
Canonical SMILES CCOC1=C2CN(C(=O)C2=C(C3=C1N=CC=C3)OCC)C4=C(C=C(C=C4)CS(=O)(=O)NC(=O)CC5=CC=CC=C5OC)C
CAS 915191423
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Other Names C528911;
MF498;
N-{[4-(5,9-Diethoxy-6-oxo-6H-pyrrolo[3,4-g]quinolin-7(8H)-yl)-3-methylbenzyl]sulfonyl}-2-(2-methoxyphenyl)acetamide ;
N-{[4-(5,9-Diethoxy-6-oxo-8H-pyrrolo[3,4-g]quinolin-7-yl)-3-methylphenyl]methylsulfonyl}-2-(2-methoxyphenyl)acetamide

In Other Databases

PubChem 15948325
ChemSpider 13090162