CID 3058453

75274-19-0

Structural Information

Molecular Formula
C10H13N3O3S
SMILES
CCOC(=O)C(=O)NC1=CC(=NC(=N1)C)SC
InChI
InChI=1S/C10H13N3O3S/c1-4-16-10(15)9(14)13-7-5-8(17-3)12-6(2)11-7/h5H,4H2,1-3H3,(H,11,12,13,14)
InChIKey
KRRXURJUWUUXDV-UHFFFAOYSA-N
Compound name
ethyl 2-[(2-methyl-6-methylsulfanylpyrimidin-4-yl)amino]-2-oxoacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

255.06776 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.07504 157.0
[M+Na]+ 278.05698 167.1
[M+NH4]+ 273.10158 162.6
[M+K]+ 294.03092 161.0
[M-H]- 254.06048 156.7
[M+Na-2H]- 276.04243 160.6
[M]+ 255.06721 158.4
[M]- 255.06831 158.4
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