CID 3058453

75274-19-0

Structural Information

Molecular Formula

C₁₀H₁₃N₃O₃S

SMILES

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

InChI

InChI=1S/C10H13N3O3S/c1-4-16-10(15)9(14)13-7-5-8(17-3)12-6(2)11-7/h5H,4H2,1-3H3,(H,11,12,13,14)

InChIKey

KRRXURJUWUUXDV-UHFFFAOYSA-N

Compound name

ethyl 2-[(2-methyl-6-methylsulfanylpyrimidin-4-yl)amino]-2-oxoacetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 255.06776 Da
Monoisotopic Mass: 1.6
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]+	256.075036	155.5
[M+Na]+	278.056978	163.5
[M-H]-	254.060484	156.9
[M+NH4]+	273.101583	170.3
[M+K]+	294.030918	161.1
[M+H-H2O]+	238.065020	147.8
[M+HCOO]-	300.065961	171.8
[M+CH3COO]-	314.081611	194.8
[M+Na-2H]-	276.042426	156.9
[M]+	255.06721142	160.2
[M]-	255.06830858	160.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe