CID 3073786

152537-59-2

Structural Information

Molecular Formula
C13H21N5O3S
SMILES
CCC(CC)(COC1=NN2C(=NC=N2)C=C1C)CS(=O)(=O)N
InChI
InChI=1S/C13H21N5O3S/c1-4-13(5-2,8-22(14,19)20)7-21-12-10(3)6-11-15-9-16-18(11)17-12/h6,9H,4-5,7-8H2,1-3H3,(H2,14,19,20)
InChIKey
OQGLMJWGJNCHNA-UHFFFAOYSA-N
Compound name
2-ethyl-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

19
Patents

327.1365 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.14378 176.1
[M+Na]+ 350.12572 185.6
[M+NH4]+ 345.17032 180.2
[M+K]+ 366.09966 182.1
[M-H]- 326.12922 173.7
[M+Na-2H]- 348.11117 178.8
[M]+ 327.13595 177.0
[M]- 327.13705 177.0
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