CID 3058457

Acetic acid, ((2,6-dimethoxy-4-pyrimidinyl)amino)oxo-, ethyl ester

Structural Information

Molecular Formula
C10H13N3O5
SMILES
CCOC(=O)C(=O)NC1=CC(=NC(=N1)OC)OC
InChI
InChI=1S/C10H13N3O5/c1-4-18-9(15)8(14)11-6-5-7(16-2)13-10(12-6)17-3/h5H,4H2,1-3H3,(H,11,12,13,14)
InChIKey
WHFRPMSJQXSTNS-UHFFFAOYSA-N
Compound name
ethyl 2-[(2,6-dimethoxypyrimidin-4-yl)amino]-2-oxoacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

255.08553 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.09281 154.9
[M+Na]+ 278.07475 164.7
[M+NH4]+ 273.11935 159.0
[M+K]+ 294.04869 161.9
[M-H]- 254.07825 153.4
[M+Na-2H]- 276.06020 158.4
[M]+ 255.08498 155.3
[M]- 255.08608 155.3
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