CID 3073791

Hexanesulfonamide, 4-ethyl-4-(((7-methyl(1,2,4)triazolo(1,5-b)pyridazin-6-yl)oxy)methyl)-

Structural Information

Molecular Formula
C15H25N5O3S
SMILES
CCC(CC)(CCCS(=O)(=O)N)COC1=NN2C(=NC=N2)C=C1C
InChI
InChI=1S/C15H25N5O3S/c1-4-15(5-2,7-6-8-24(16,21)22)10-23-14-12(3)9-13-17-11-18-20(13)19-14/h9,11H,4-8,10H2,1-3H3,(H2,16,21,22)
InChIKey
GCDVNJPFEJPITA-UHFFFAOYSA-N
Compound name
4-ethyl-4-[(7-methyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)oxymethyl]hexane-1-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

355.16782 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.17510 187.1
[M+Na]+ 378.15704 196.2
[M-H]- 354.16054 186.6
[M+NH4]+ 373.20164 198.0
[M+K]+ 394.13098 191.7
[M+H-H2O]+ 338.16508 179.2
[M+HCOO]- 400.16602 199.6
[M+CH3COO]- 414.18167 213.1
[M+Na-2H]- 376.14249 191.0
[M]+ 355.16727 195.0
[M]- 355.16837 195.0
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