CID 3058447

75274-13-4

Structural Information

Molecular Formula

C₁₁H₁₅N₃O₅

SMILES

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

InChI

InChI=1S/C11H15N3O5/c1-3-18-11(16)10(15)14-8-6-9(13-7-12-8)19-5-4-17-2/h6-7H,3-5H2,1-2H3,(H,12,13,14,15)

InChIKey

HOOZHVDIZZXWGT-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 269.10117 Da
Monoisotopic Mass: 0.5
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]+	270.108446	158.2
[M+Na]+	292.090388	164.6
[M-H]-	268.093894	159.0
[M+NH4]+	287.134993	171.4
[M+K]+	308.064328	164.4
[M+H-H2O]+	252.098430	149.5
[M+HCOO]-	314.099371	180.1
[M+CH3COO]-	328.115021	197.2
[M+Na-2H]-	290.075836	163.0
[M]+	269.10062142	163.7
[M]-	269.10171858	163.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe