CID 9840359

4vq8rba9ew

Structural Information

Molecular Formula
C13H21N5O3S
SMILES
CC(C)C1=CC2=NC=NN2N=C1OCC(C)(C)CS(=O)(=O)N
InChI
InChI=1S/C13H21N5O3S/c1-9(2)10-5-11-15-8-16-18(11)17-12(10)21-6-13(3,4)7-22(14,19)20/h5,8-9H,6-7H2,1-4H3,(H2,14,19,20)
InChIKey
ABSYJOKYMQTMMK-UHFFFAOYSA-N
Compound name
2,2-dimethyl-3-[(7-propan-2-yl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)oxy]propane-1-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

36
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 175.3
[M+Na]+ 350.12572 184.4
[M+NH4]+ 345.17032 179.3
[M+K]+ 366.09966 181.8
[M-H]- 326.12922 172.7
[M+Na-2H]- 348.11117 177.8
[M]+ 327.13595 176.0
[M]- 327.13705 176.0
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