CID 5747085

82608-23-9

Structural Information

Molecular Formula
C6H5N3OS
SMILES
CC1=CC2=C(NC(=O)S2)N=N1
InChI
InChI=1S/C6H5N3OS/c1-3-2-4-5(9-8-3)7-6(10)11-4/h2H,1H3,(H,7,9,10)
InChIKey
VSXALNAJXCWELK-UHFFFAOYSA-N
Compound name
3-methyl-7H-[1,3]thiazolo[4,5-c]pyridazin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

167.01534 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.022616 128.7
[M+Na]+ 190.004558 142.4
[M-H]- 166.008064 129.8
[M+NH4]+ 185.049163 148.9
[M+K]+ 205.978498 138.3
[M+H-H2O]+ 150.012600 122.8
[M+HCOO]- 212.013541 146.5
[M+CH3COO]- 226.029191 143.2
[M+Na-2H]- 187.990006 134.6
[M]+ 167.01479142 132.3
[M]- 167.01588858 132.3
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

No patent data available for this compound.