CID 3073785

152537-58-1

Structural Information

Molecular Formula
C12H19N5O3S
SMILES
CC1=C(C(=NN2C1=NC=N2)OCC(C)(C)CS(=O)(=O)N)C
InChI
InChI=1S/C12H19N5O3S/c1-8-9(2)11(16-17-10(8)14-7-15-17)20-5-12(3,4)6-21(13,18)19/h7H,5-6H2,1-4H3,(H2,13,18,19)
InChIKey
IRCWEOUPZLIZAX-UHFFFAOYSA-N
Compound name
3-[(7,8-dimethyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)oxy]-2,2-dimethylpropane-1-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

313.12085 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.12813 173.0
[M+Na]+ 336.11007 183.0
[M+NH4]+ 331.15467 177.2
[M+K]+ 352.08401 179.9
[M-H]- 312.11357 170.7
[M+Na-2H]- 334.09552 175.6
[M]+ 313.12030 174.0
[M]- 313.12140 174.0
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