CID 3058449

75274-15-6

Structural Information

Molecular Formula

C₁₀H₁₃N₃O₄

SMILES

CCOC(=O)C(=O)NC1=CC(=NC(=N1)C)OC

InChI

InChI=1S/C10H13N3O4/c1-4-17-10(15)9(14)13-7-5-8(16-3)12-6(2)11-7/h5H,4H2,1-3H3,(H,11,12,13,14)

InChIKey

FNBMUGORXCQDTE-UHFFFAOYSA-N

Compound name

ethyl 2-[(6-methoxy-2-methylpyrimidin-4-yl)amino]-2-oxoacetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 239.0906 Da
Monoisotopic Mass: 1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	240.097876	151.4
[M+Na]+	262.079818	159.3
[M-H]-	238.083324	152.8
[M+NH4]+	257.124423	166.3
[M+K]+	278.053758	158.8
[M+H-H2O]+	222.087860	143.4
[M+HCOO]-	284.088801	173.4
[M+CH3COO]-	298.104451	193.3
[M+Na-2H]-	260.065266	155.8
[M]+	239.09005142	155.5
[M]-	239.09114858	155.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe