CID 3073798

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

Structural Information

Molecular Formula
C12H19N5O3S
SMILES
CC1=CC2=NC(=NN2N=C1OCC(C)(C)CS(=O)(=O)N)C
InChI
InChI=1S/C12H19N5O3S/c1-8-5-10-14-9(2)15-17(10)16-11(8)20-6-12(3,4)7-21(13,18)19/h5H,6-7H2,1-4H3,(H2,13,18,19)
InChIKey
GJECKACUXLGNIS-UHFFFAOYSA-N
Compound name
3-[(2,7-dimethyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)oxy]-2,2-dimethylpropane-1-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

313.12085 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.12813 175.1
[M+Na]+ 336.11007 186.4
[M-H]- 312.11357 175.5
[M+NH4]+ 331.15467 188.0
[M+K]+ 352.08401 182.5
[M+H-H2O]+ 296.11811 168.1
[M+HCOO]- 358.11905 188.5
[M+CH3COO]- 372.13470 205.6
[M+Na-2H]- 334.09552 179.5
[M]+ 313.12030 182.4
[M]- 313.12140 182.4
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