CID 177919

151331-80-5

Structural Information

Molecular Formula
C13H16N4O4S
SMILES
CCS(=O)(=O)C1=C(N=CC=C1)NC2=NC(=CC(=N2)OC)OC
InChI
InChI=1S/C13H16N4O4S/c1-4-22(18,19)9-6-5-7-14-12(9)17-13-15-10(20-2)8-11(16-13)21-3/h5-8H,4H2,1-3H3,(H,14,15,16,17)
InChIKey
AFOZBVKCZXHDER-UHFFFAOYSA-N
Compound name
N-(3-ethylsulfonylpyridin-2-yl)-4,6-dimethoxypyrimidin-2-amine
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

0
References

0
Patents

324.08923 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.09651 172.8
[M+Na]+ 347.07845 182.2
[M-H]- 323.08195 176.3
[M+NH4]+ 342.12305 183.2
[M+K]+ 363.05239 178.0
[M+H-H2O]+ 307.08649 163.5
[M+HCOO]- 369.08743 189.0
[M+CH3COO]- 383.10308 206.6
[M+Na-2H]- 345.06390 178.0
[M]+ 324.08868 179.0
[M]- 324.08978 179.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.