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

7
Patents

273.03543 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.04271 156.2
[M+Na]+ 296.02465 168.2
[M-H]- 272.02815 155.9
[M+NH4]+ 291.06925 170.7
[M+K]+ 311.99859 162.6
[M+H-H2O]+ 256.03269 149.7
[M+HCOO]- 318.03363 167.3
[M+CH3COO]- 332.04928 193.3
[M+Na-2H]- 294.01010 160.7
[M]+ 273.03488 161.4
[M]- 273.03598 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