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 179.4
[M+Na]+ 350.12572 190.2
[M-H]- 326.12922 179.5
[M+NH4]+ 345.17032 191.7
[M+K]+ 366.09966 186.1
[M+H-H2O]+ 310.13376 172.1
[M+HCOO]- 372.13470 192.4
[M+CH3COO]- 386.15035 208.5
[M+Na-2H]- 348.11117 183.4
[M]+ 327.13595 187.0
[M]- 327.13705 187.0
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