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 178.2
[M+Na]+ 350.12572 187.9
[M-H]- 326.12922 178.2
[M+NH4]+ 345.17032 190.2
[M+K]+ 366.09966 184.4
[M+H-H2O]+ 310.13376 170.9
[M+HCOO]- 372.13470 190.3
[M+CH3COO]- 386.15035 208.1
[M+Na-2H]- 348.11117 182.1
[M]+ 327.13595 184.9
[M]- 327.13705 184.9
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