CID 3073801

6-(3-sulfamoyl-1-propoxy)(1,2,4)triazolo(1,5-b)pyridazine

Structural Information

Molecular Formula
C8H11N5O3S
SMILES
C1=CC(=NN2C1=NC=N2)OCCCS(=O)(=O)N
InChI
InChI=1S/C8H11N5O3S/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
YKDMDEHXQBJYID-UHFFFAOYSA-N
Compound name
3-([1,2,4]triazolo[1,5-b]pyridazin-6-yloxy)propane-1-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

257.05826 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.06554 153.5
[M+Na]+ 280.04748 164.9
[M-H]- 256.05098 153.5
[M+NH4]+ 275.09208 168.1
[M+K]+ 296.02142 161.3
[M+H-H2O]+ 240.05552 146.0
[M+HCOO]- 302.05646 170.0
[M+CH3COO]- 316.07211 190.9
[M+Na-2H]- 278.03293 160.3
[M]+ 257.05771 159.3
[M]- 257.05881 159.3
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

patents stripe