CID 3073795

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

Structural Information

Molecular Formula
C12H19N5O3S
SMILES
CC1=CC2=NC=NN2N=C1OCC(CS(=O)(=O)N)C(C)C
InChI
InChI=1S/C12H19N5O3S/c1-8(2)10(6-21(13,18)19)5-20-12-9(3)4-11-14-7-15-17(11)16-12/h4,7-8,10H,5-6H2,1-3H3,(H2,13,18,19)
InChIKey
KCLHUXMDFGJAMI-UHFFFAOYSA-N
Compound name
3-methyl-2-[(7-methyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)oxymethyl]butane-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 171.4
[M+Na]+ 336.11007 181.0
[M-H]- 312.11357 171.4
[M+NH4]+ 331.15467 183.9
[M+K]+ 352.08401 177.7
[M+H-H2O]+ 296.11811 163.8
[M+HCOO]- 358.11905 184.5
[M+CH3COO]- 372.13470 205.6
[M+Na-2H]- 334.09552 173.7
[M]+ 313.12030 177.8
[M]- 313.12140 177.8
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