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 153.6
[M+Na]+ 278.07475 161.4
[M-H]- 254.07825 155.0
[M+NH4]+ 273.11935 167.7
[M+K]+ 294.04869 161.5
[M+H-H2O]+ 238.08279 145.4
[M+HCOO]- 300.08373 175.8
[M+CH3COO]- 314.09938 195.5
[M+Na-2H]- 276.06020 158.1
[M]+ 255.08498 159.2
[M]- 255.08608 159.2
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