CID 3073799

6-(2-ethyl-2-methyl-3-sulfamoyl-1-propoxy)-2,7-dimethyl(1,2,4)triazolo(1,5-b)pyridazine

Structural Information

Molecular Formula
C13H21N5O3S
SMILES
CCC(C)(COC1=NN2C(=NC(=N2)C)C=C1C)CS(=O)(=O)N
InChI
InChI=1S/C13H21N5O3S/c1-5-13(4,8-22(14,19)20)7-21-12-9(2)6-11-15-10(3)16-18(11)17-12/h6H,5,7-8H2,1-4H3,(H2,14,19,20)
InChIKey
NAMBMMGHTBUQJB-UHFFFAOYSA-N
Compound name
2-[(2,7-dimethyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)oxymethyl]-2-methylbutane-1-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

327.1365 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.14378 177.2
[M+Na]+ 350.12572 187.0
[M+NH4]+ 345.17032 181.2
[M+K]+ 366.09966 183.7
[M-H]- 326.12922 174.8
[M+Na-2H]- 348.11117 179.5
[M]+ 327.13595 178.1
[M]- 327.13705 178.1
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