CID 3073783

1-butanesulfonamide, 2-ethyl-2-(((1,2,4)triazolo(1,5-b)pyridazin-6-yloxy)methyl)-

Structural Information

Molecular Formula
C12H19N5O3S
SMILES
CCC(CC)(COC1=NN2C(=NC=N2)C=C1)CS(=O)(=O)N
InChI
InChI=1S/C12H19N5O3S/c1-3-12(4-2,8-21(13,18)19)7-20-11-6-5-10-14-9-15-17(10)16-11/h5-6,9H,3-4,7-8H2,1-2H3,(H2,13,18,19)
InChIKey
QBIBUTBKGQIKLI-UHFFFAOYSA-N
Compound name
2-ethyl-2-([1,2,4]triazolo[1,5-b]pyridazin-6-yloxymethyl)butane-1-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

313.12085 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.12813 173.7
[M+Na]+ 336.11007 183.4
[M-H]- 312.11357 173.3
[M+NH4]+ 331.15467 186.1
[M+K]+ 352.08401 179.6
[M+H-H2O]+ 296.11811 166.1
[M+HCOO]- 358.11905 187.3
[M+CH3COO]- 372.13470 203.1
[M+Na-2H]- 334.09552 179.6
[M]+ 313.12030 180.2
[M]- 313.12140 180.2
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