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 170.9
[M+Na]+ 336.11007 180.3
[M+NH4]+ 331.15467 175.2
[M+K]+ 352.08401 176.8
[M-H]- 312.11357 168.4
[M+Na-2H]- 334.09552 174.1
[M]+ 313.12030 171.7
[M]- 313.12140 171.7
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