CID 138040896

2-bromo-5,7-dimethoxy-[1,3]thiazolo[4,5-d]pyrimidine

Structural Information

Molecular Formula
C7H6BrN3O2S
SMILES
COC1=NC(=NC2=C1SC(=N2)Br)OC
InChI
InChI=1S/C7H6BrN3O2S/c1-12-5-3-4(9-6(8)14-3)10-7(11-5)13-2/h1-2H3
InChIKey
DAVVWHGISUAYMZ-UHFFFAOYSA-N
Compound name
2-bromo-5,7-dimethoxy-[1,3]thiazolo[4,5-d]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.9364 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.94368 136.8
[M+Na]+ 297.92562 153.8
[M-H]- 273.92912 142.2
[M+NH4]+ 292.97022 157.5
[M+K]+ 313.89956 143.1
[M+H-H2O]+ 257.93366 137.2
[M+HCOO]- 319.93460 154.0
[M+CH3COO]- 333.95025 153.4
[M+Na-2H]- 295.91107 144.3
[M]+ 274.93585 163.3
[M]- 274.93695 163.3
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

No patent data available for this compound.