Acetyl-N-formyl-5-methoxykynurenamine

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Systematic / IUPAC Name: N-[3-(2-Formamido-5-methoxyphenyl)-3-oxopropyl]acetamide

ID: Reference295

Other Names: AFMK;
N-{3-[2-(Formylamino)-5-methoxyphenyl]-3-oxopropyl}acetamide ;
N1-Acetyl-N2-formyl-5-methoxykynuramine;
N-Acetyl-N-formyl-5-methoxykynurenamine;
Acetamide, N-{3-[2-(formylamino)-5-methoxyphenyl]-3-oxopropyl}-

Formula: C13H16N2O4

Class: Endogenous Metabolites

Spectral Data

Acetyl-N-formyl-5-methoxykynurenamine 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 2
No. of Spectra 292
Tandem Spectra MS1, MS2, MS3, MS4, MS5
Ionization Methods ESI
Analyzers FT
Last Modification 10/11/2016 7:50:13 AM
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Identificators

InChI InChI=1S/C13H16N2O4/c1-9(17)14-6-5-13(18)11-7-10(19-2)3-4-12(11)15-8-16/h3-4,7-8H,5-6H2,1-2H3,(H,14,17)(H,15,16)
InChI Key JYWNYMJKURVPFH-UHFFFAOYSA-N
Canonical SMILES CC(=O)NCCC(=O)C1=C(C=CC(=C1)OC)NC=O
CAS 52450381
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Other Names AFMK;
N-{3-[2-(Formylamino)-5-methoxyphenyl]-3-oxopropyl}acetamide ;
N1-Acetyl-N2-formyl-5-methoxykynuramine;
N-Acetyl-N-formyl-5-methoxykynurenamine;
Acetamide, N-{3-[2-(formylamino)-5-methoxyphenyl]-3-oxopropyl}- ;
Formyl-N-acetyl-5-methoxykynurenamine

In Other Databases

ChEMBL CHEMBL1882218
ChemSpider 149637
HMDb HMDB04259
ChemIDPlus 052450381
PubChem 171161
KEGG C05642