CID 293730

[1,3]thiazolo[5,4-d]pyrimidine-5,7-diol

Structural Information

Molecular Formula
C5H3N3O2S
SMILES
C1=NC2=C(S1)NC(=O)NC2=O
InChI
InChI=1S/C5H3N3O2S/c9-3-2-4(11-1-6-2)8-5(10)7-3/h1H,(H2,7,8,9,10)
InChIKey
XYKSLGUQLMACHQ-UHFFFAOYSA-N
Compound name
4H-[1,3]thiazolo[5,4-d]pyrimidine-5,7-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

168.9946 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.00188 127.8
[M+Na]+ 191.98382 141.6
[M-H]- 167.98732 127.6
[M+NH4]+ 187.02842 147.0
[M+K]+ 207.95776 136.6
[M+H-H2O]+ 151.99186 122.3
[M+HCOO]- 213.99280 144.7
[M+CH3COO]- 228.00845 141.8
[M+Na-2H]- 189.96927 133.8
[M]+ 168.99405 129.9
[M]- 168.99515 129.9
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