CID 18919217

2138546-89-9

Structural Information

Molecular Formula
C5H3N3OS
SMILES
C1=NNC(=O)C2=C1N=CS2
InChI
InChI=1S/C5H3N3OS/c9-5-4-3(1-7-8-5)6-2-10-4/h1-2H,(H,8,9)
InChIKey
SIQKVGBFBMOPTO-UHFFFAOYSA-N
Compound name
6H-[1,3]thiazolo[4,5-d]pyridazin-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

152.99968 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.006956 124.0
[M+Na]+ 175.988898 137.3
[M-H]- 151.992404 124.8
[M+NH4]+ 171.033503 144.4
[M+K]+ 191.962838 133.4
[M+H-H2O]+ 135.996940 118.0
[M+HCOO]- 197.997881 142.1
[M+CH3COO]- 212.013531 138.6
[M+Na-2H]- 173.974346 131.1
[M]+ 152.99913142 126.8
[M]- 153.00022858 126.8
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