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

10
Patents

257.05826 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.065536 153.5
[M+Na]+ 280.047478 164.9
[M-H]- 256.050984 153.5
[M+NH4]+ 275.092083 168.1
[M+K]+ 296.021418 161.3
[M+H-H2O]+ 240.055520 146.0
[M+HCOO]- 302.056461 170.0
[M+CH3COO]- 316.072111 190.9
[M+Na-2H]- 278.032926 160.3
[M]+ 257.05771142 159.3
[M]- 257.05880858 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