CID 3058451

75274-17-8

Structural Information

Molecular Formula

C₁₂H₁₇N₃O₅

SMILES

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

InChI

InChI=1S/C12H17N3O5/c1-4-19-12(17)11(16)15-9-7-10(14-8(2)13-9)20-6-5-18-3/h7H,4-6H2,1-3H3,(H,13,14,15,16)

InChIKey

UFUSDQWMAOBKJG-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 283.11682 Da
Monoisotopic Mass: 0.9
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]+	284.124096	162.7
[M+Na]+	306.106038	169.6
[M-H]-	282.109544	163.8
[M+NH4]+	301.150643	175.7
[M+K]+	322.079978	169.3
[M+H-H2O]+	266.114080	154.1
[M+HCOO]-	328.115021	184.2
[M+CH3COO]-	342.130671	201.4
[M+Na-2H]-	304.091486	166.2
[M]+	283.11627142	169.0
[M]-	283.11736858	169.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe