CID 1201385

4h,5h,6h,7h-[1,3]thiazolo[4,5-d]pyridazine-4,7-dione

Structural Information

Molecular Formula
C5H3N3O2S
SMILES
C1=NC2=C(S1)C(=O)NNC2=O
InChI
InChI=1S/C5H3N3O2S/c9-4-2-3(11-1-6-2)5(10)8-7-4/h1H,(H,7,9)(H,8,10)
InChIKey
GTAFNULTORJARS-UHFFFAOYSA-N
Compound name
5,6-dihydro-[1,3]thiazolo[4,5-d]pyridazine-4,7-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

168.9946 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.001876 127.8
[M+Na]+ 191.983818 141.6
[M-H]- 167.987324 127.6
[M+NH4]+ 187.028423 147.0
[M+K]+ 207.957758 136.6
[M+H-H2O]+ 151.991860 122.3
[M+HCOO]- 213.992801 144.7
[M+CH3COO]- 228.008451 141.8
[M+Na-2H]- 189.969266 133.8
[M]+ 168.99405142 129.9
[M]- 168.99514858 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