CID 208276

31894-93-6

Structural Information

Molecular Formula
C8H10N4O2S
SMILES
CNC1=NC2=C(S1)C(=O)N(C(=O)N2C)C
InChI
InChI=1S/C8H10N4O2S/c1-9-7-10-5-4(15-7)6(13)12(3)8(14)11(5)2/h1-3H3,(H,9,10)
InChIKey
ABHDMMPZQZGUFB-UHFFFAOYSA-N
Compound name
4,6-dimethyl-2-(methylamino)-[1,3]thiazolo[4,5-d]pyrimidine-5,7-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

226.05244 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.05972 144.9
[M+Na]+ 249.04166 159.6
[M-H]- 225.04516 147.9
[M+NH4]+ 244.08626 163.6
[M+K]+ 265.01560 155.4
[M+H-H2O]+ 209.04970 138.5
[M+HCOO]- 271.05064 164.5
[M+CH3COO]- 285.06629 190.8
[M+Na-2H]- 247.02711 148.7
[M]+ 226.05189 152.0
[M]- 226.05299 152.0
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