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

20
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 125.7
[M+Na]+ 175.98890 139.6
[M+NH4]+ 171.03350 134.3
[M+K]+ 191.96284 133.5
[M-H]- 151.99240 126.2
[M+Na-2H]- 173.97435 132.1
[M]+ 152.99913 128.2
[M]- 153.00023 128.2
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