CID 3058457

Acetic acid, ((2,6-dimethoxy-4-pyrimidinyl)amino)oxo-, ethyl ester

Structural Information

Molecular Formula

C₁₀H₁₃N₃O₅

SMILES

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

InChI

InChI=1S/C10H13N3O5/c1-4-18-9(15)8(14)11-6-5-7(16-2)13-10(12-6)17-3/h5H,4H2,1-3H3,(H,11,12,13,14)

InChIKey

WHFRPMSJQXSTNS-UHFFFAOYSA-N

Compound name

ethyl 2-[(2,6-dimethoxypyrimidin-4-yl)amino]-2-oxoacetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 255.08553 Da
Monoisotopic Mass: 1.0
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]+	256.092806	153.6
[M+Na]+	278.074748	161.4
[M-H]-	254.078254	155.0
[M+NH4]+	273.119353	167.7
[M+K]+	294.048688	161.5
[M+H-H2O]+	238.082790	145.4
[M+HCOO]-	300.083731	175.8
[M+CH3COO]-	314.099381	195.5
[M+Na-2H]-	276.060196	158.1
[M]+	255.08498142	159.2
[M]-	255.08607858	159.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe