CID 3073804

1-propanesulfonamide, 3-((1,2,4)triazolo(1,5-b)pyridazin-6-ylthio)-

Structural Information

Molecular Formula
C8H11N5O2S2
SMILES
C1=CC(=NN2C1=NC=N2)SCCCS(=O)(=O)N
InChI
InChI=1S/C8H11N5O2S2/c9-17(14,15)5-1-4-16-8-3-2-7-10-6-11-13(7)12-8/h2-3,6H,1,4-5H2,(H2,9,14,15)
InChIKey
XUKLLYAXWBEPEC-UHFFFAOYSA-N
Compound name
3-([1,2,4]triazolo[1,5-b]pyridazin-6-ylsulfanyl)propane-1-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

273.03543 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.042706 156.2
[M+Na]+ 296.024648 168.2
[M-H]- 272.028154 155.9
[M+NH4]+ 291.069253 170.7
[M+K]+ 311.998588 162.6
[M+H-H2O]+ 256.032690 149.7
[M+HCOO]- 318.033631 167.3
[M+CH3COO]- 332.049281 193.3
[M+Na-2H]- 294.010096 160.7
[M]+ 273.03488142 161.4
[M]- 273.03597858 161.4
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