CID 3058456

75274-22-5

Structural Information

Molecular Formula
C8H9N3O3
SMILES
CCOC(=O)C(=O)NC1=NC=NC=C1
InChI
InChI=1S/C8H9N3O3/c1-2-14-8(13)7(12)11-6-3-4-9-5-10-6/h3-5H,2H2,1H3,(H,9,10,11,12)
InChIKey
KSKJAAMBBDMWOE-UHFFFAOYSA-N
Compound name
ethyl 2-oxo-2-(pyrimidin-4-ylamino)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

195.06439 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.071666 140.1
[M+Na]+ 218.053608 147.2
[M-H]- 194.057114 141.1
[M+NH4]+ 213.098213 156.2
[M+K]+ 234.027548 146.5
[M+H-H2O]+ 178.061650 132.1
[M+HCOO]- 240.062591 162.5
[M+CH3COO]- 254.078241 182.6
[M+Na-2H]- 216.039056 146.9
[M]+ 195.06384142 141.2
[M]- 195.06493858 141.2
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