CID 3058451

75274-17-8

Structural Information

Molecular Formula
C12H17N3O5
SMILES
CCOC(=O)C(=O)NC1=CC(=NC(=N1)C)OCCOC
InChI
InChI=1S/C12H17N3O5/c1-4-19-12(17)11(16)15-9-7-10(14-8(2)13-9)20-6-5-18-3/h7H,4-6H2,1-3H3,(H,13,14,15,16)
InChIKey
UFUSDQWMAOBKJG-UHFFFAOYSA-N
Compound name
ethyl 2-[[6-(2-methoxyethoxy)-2-methylpyrimidin-4-yl]amino]-2-oxoacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

283.11682 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.12410 162.7
[M+Na]+ 306.10604 169.6
[M-H]- 282.10954 163.8
[M+NH4]+ 301.15064 175.7
[M+K]+ 322.07998 169.3
[M+H-H2O]+ 266.11408 154.1
[M+HCOO]- 328.11502 184.2
[M+CH3COO]- 342.13067 201.4
[M+Na-2H]- 304.09149 166.2
[M]+ 283.11627 169.0
[M]- 283.11737 169.0
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