CID 3073784

1-propanesulfonamide, 2,2-dimethyl-3-((7-methyl(1,2,4)triazolo(1,5-b)pyridazin-6-yl)oxy)-

Structural Information

Molecular Formula
C11H17N5O3S
SMILES
CC1=CC2=NC=NN2N=C1OCC(C)(C)CS(=O)(=O)N
InChI
InChI=1S/C11H17N5O3S/c1-8-4-9-13-7-14-16(9)15-10(8)19-5-11(2,3)6-20(12,17)18/h4,7H,5-6H2,1-3H3,(H2,12,17,18)
InChIKey
CAFKKIIVXSPURY-UHFFFAOYSA-N
Compound name
2,2-dimethyl-3-[(7-methyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)oxy]propane-1-sulfonamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

15
Patents

299.10522 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.11250 170.2
[M+Na]+ 322.09444 181.2
[M-H]- 298.09794 170.4
[M+NH4]+ 317.13904 183.4
[M+K]+ 338.06838 177.5
[M+H-H2O]+ 282.10248 163.1
[M+HCOO]- 344.10342 184.0
[M+CH3COO]- 358.11907 201.4
[M+Na-2H]- 320.07989 175.8
[M]+ 299.10467 176.8
[M]- 299.10577 176.8
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