CID 3073796

152537-71-8

Structural Information

Molecular Formula
C12H19N5O3S
SMILES
CCC(C)(COC1=NN2C(=NC=N2)C=C1C)CS(=O)(=O)N
InChI
InChI=1S/C12H19N5O3S/c1-4-12(3,7-21(13,18)19)6-20-11-9(2)5-10-14-8-15-17(10)16-11/h5,8H,4,6-7H2,1-3H3,(H2,13,18,19)
InChIKey
IJFQVZAPJZHQTN-UHFFFAOYSA-N
Compound name
2-methyl-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

7
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 171.9
[M+Na]+ 336.11007 181.6
[M+NH4]+ 331.15467 176.2
[M+K]+ 352.08401 178.3
[M-H]- 312.11357 169.5
[M+Na-2H]- 334.09552 174.8
[M]+ 313.12030 172.8
[M]- 313.12140 172.8
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