CID 3058448

Ethyl ((6-methoxy-4-pyrimidinyl)amino)oxoacetate

Structural Information

Molecular Formula
C9H11N3O4
SMILES
CCOC(=O)C(=O)NC1=CC(=NC=N1)OC
InChI
InChI=1S/C9H11N3O4/c1-3-16-9(14)8(13)12-6-4-7(15-2)11-5-10-6/h4-5H,3H2,1-2H3,(H,10,11,12,13)
InChIKey
ZNTHGRHRFDPBSA-UHFFFAOYSA-N
Compound name
ethyl 2-[(6-methoxypyrimidin-4-yl)amino]-2-oxoacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

225.07495 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.082226 146.9
[M+Na]+ 248.064168 154.4
[M-H]- 224.067674 148.2
[M+NH4]+ 243.108773 162.1
[M+K]+ 264.038108 154.1
[M+H-H2O]+ 208.072210 138.8
[M+HCOO]- 270.073151 169.3
[M+CH3COO]- 284.088801 189.0
[M+Na-2H]- 246.049616 152.6
[M]+ 225.07440142 150.3
[M]- 225.07549858 150.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe