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 155.5
[M+Na]+ 278.05698 163.5
[M-H]- 254.06048 156.9
[M+NH4]+ 273.10158 170.3
[M+K]+ 294.03092 161.1
[M+H-H2O]+ 238.06502 147.8
[M+HCOO]- 300.06596 171.8
[M+CH3COO]- 314.08161 194.8
[M+Na-2H]- 276.04243 156.9
[M]+ 255.06721 160.2
[M]- 255.06831 160.2
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