CID 3073787

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

Structural Information

Molecular Formula
C12H19N5O3S
SMILES
CC1=CC2=NC=NN2N=C1OCC(C)(C)CCS(=O)(=O)N
InChI
InChI=1S/C12H19N5O3S/c1-9-6-10-14-8-15-17(10)16-11(9)20-7-12(2,3)4-5-21(13,18)19/h6,8H,4-5,7H2,1-3H3,(H2,13,18,19)
InChIKey
LNALLUHBMZUXHQ-UHFFFAOYSA-N
Compound name
3,3-dimethyl-4-[(7-methyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)oxy]butane-1-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
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 174.5
[M+Na]+ 336.11007 185.0
[M-H]- 312.11357 174.5
[M+NH4]+ 331.15467 187.1
[M+K]+ 352.08401 181.1
[M+H-H2O]+ 296.11811 167.1
[M+HCOO]- 358.11905 187.9
[M+CH3COO]- 372.13470 204.3
[M+Na-2H]- 334.09552 179.6
[M]+ 313.12030 181.4
[M]- 313.12140 181.4
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