CID 3073800

6-(2,2-diethyl-3-sulfamoyl-1-propoxy)-2,8-dimethyl(1,2,4)triazolo(1,5-b)pyridazine

Structural Information

Molecular Formula
C14H23N5O3S
SMILES
CCC(CC)(COC1=NN2C(=NC(=N2)C)C(=C1)C)CS(=O)(=O)N
InChI
InChI=1S/C14H23N5O3S/c1-5-14(6-2,9-23(15,20)21)8-22-12-7-10(3)13-16-11(4)17-19(13)18-12/h7H,5-6,8-9H2,1-4H3,(H2,15,20,21)
InChIKey
PGMZSVUUNSGEQP-UHFFFAOYSA-N
Compound name
2-[(2,8-dimethyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)oxymethyl]-2-ethylbutane-1-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

341.15216 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.15944 183.6
[M+Na]+ 364.14138 194.0
[M-H]- 340.14488 183.6
[M+NH4]+ 359.18598 195.4
[M+K]+ 380.11532 189.7
[M+H-H2O]+ 324.14942 176.2
[M+HCOO]- 386.15036 196.3
[M+CH3COO]- 400.16601 211.4
[M+Na-2H]- 362.12683 187.2
[M]+ 341.15161 191.5
[M]- 341.15271 191.5
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