Trimethoprim impurity B

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Systematic / IUPAC Name: (2,4-Diamino-5-pyrimidinyl)(3,4,5-trimethoxyphenyl)methanone

ID: Reference8740

Other Names: (2,4-Diaminopyrimidin-5-yl)-(3,4,5-trimethoxyphenyl)methanone;
2,4-Diamino-5-(3,4,5-trimethoxybenzoyl)pyrimidine;
Methanone, (2,4-diamino-5-pyrimidinyl)(3,4,5-trimethoxyphenyl)-

Formula: C14H16N4O4

Spectral Data

Trimethoprim impurity B 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 Fusion Lumos with ETD LBP FAIMS
No. of Spectral Trees 1
No. of Spectra 1423
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 3/13/2019 9:06:06 AM
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Identificators

InChI InChI=1S/C14H16N4O4/c1-20-9-4-7(5-10(21-2)12(9)22-3)11(19)8-6-17-14(16)18-13(8)15/h4-6H,1-3H3,(H4,15,16,17,18)
InChI Key GAAPPIKAFNZRLA-UHFFFAOYSA-N
Canonical SMILES COC1=CC(=CC(=C1OC)OC)C(=O)C2=CN=C(N=C2N)N
CAS 30806861
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Other Names (2,4-Diaminopyrimidin-5-yl)-(3,4,5-trimethoxyphenyl)methanone;
2,4-Diamino-5-(3,4,5-trimethoxybenzoyl)pyrimidine;
Methanone, (2,4-diamino-5-pyrimidinyl)(3,4,5-trimethoxyphenyl)-

In Other Databases

ChemSpider 23255927
PubChem 13734023
ChemIDPlus 30806861