CID 3058461

75274-27-0

Structural Information

Molecular Formula
C11H15N3O4S
SMILES
CCOC(=O)C(=O)NC1=CC(=NC=N1)SCCOC
InChI
InChI=1S/C11H15N3O4S/c1-3-18-11(16)10(15)14-8-6-9(13-7-12-8)19-5-4-17-2/h6-7H,3-5H2,1-2H3,(H,12,13,14,15)
InChIKey
LJIARKPLCRQHRB-UHFFFAOYSA-N
Compound name
ethyl 2-[[6-(2-methoxyethylsulfanyl)pyrimidin-4-yl]amino]-2-oxoacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

285.07834 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.08562 162.7
[M+Na]+ 308.06756 169.1
[M-H]- 284.07106 163.5
[M+NH4]+ 303.11216 175.9
[M+K]+ 324.04150 167.0
[M+H-H2O]+ 268.07560 154.3
[M+HCOO]- 330.07654 179.0
[M+CH3COO]- 344.09219 198.7
[M+Na-2H]- 306.05301 164.5
[M]+ 285.07779 168.7
[M]- 285.07889 168.7
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