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]+ 154.00696 124.0
[M+Na]+ 175.98890 137.3
[M-H]- 151.99240 124.8
[M+NH4]+ 171.03350 144.4
[M+K]+ 191.96284 133.4
[M+H-H2O]+ 135.99694 118.0
[M+HCOO]- 197.99788 142.1
[M+CH3COO]- 212.01353 138.6
[M+Na-2H]- 173.97435 131.1
[M]+ 152.99913 126.8
[M]- 153.00023 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