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

1
Patents

225.07495 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.08223 146.9
[M+Na]+ 248.06417 154.4
[M-H]- 224.06767 148.2
[M+NH4]+ 243.10877 162.1
[M+K]+ 264.03811 154.1
[M+H-H2O]+ 208.07221 138.8
[M+HCOO]- 270.07315 169.3
[M+CH3COO]- 284.08880 189.0
[M+Na-2H]- 246.04962 152.6
[M]+ 225.07440 150.3
[M]- 225.07550 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