CID 345636

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

Structural Information

Molecular Formula
C5H3N3O2S
SMILES
C1=NC2=C(S1)C(=O)NC(=O)N2
InChI
InChI=1S/C5H3N3O2S/c9-4-2-3(6-1-11-2)7-5(10)8-4/h1H,(H2,7,8,9,10)
InChIKey
ZKMLPWOPYCJLKO-UHFFFAOYSA-N
Compound name
4H-[1,3]thiazolo[4,5-d]pyrimidine-5,7-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

47
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

literature stripe

Patent stripe

patents stripe