CID 3073792

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

Structural Information

Molecular Formula
C14H23N5O3S
SMILES
CCC(CC)(CCS(=O)(=O)N)COC1=NN2C(=NC=N2)C=C1C
InChI
InChI=1S/C14H23N5O3S/c1-4-14(5-2,6-7-23(15,20)21)9-22-13-11(3)8-12-16-10-17-19(12)18-13/h8,10H,4-7,9H2,1-3H3,(H2,15,20,21)
InChIKey
AGTZPSPEBPBUFS-UHFFFAOYSA-N
Compound name
3-ethyl-3-[(7-methyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)oxymethyl]pentane-1-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

341.15216 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.15944 182.9
[M+Na]+ 364.14138 192.5
[M-H]- 340.14488 182.6
[M+NH4]+ 359.18598 194.4
[M+K]+ 380.11532 188.2
[M+H-H2O]+ 324.14942 175.2
[M+HCOO]- 386.15036 195.7
[M+CH3COO]- 400.16601 210.2
[M+Na-2H]- 362.12683 187.2
[M]+ 341.15161 190.5
[M]- 341.15271 190.5
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