CID 3073803

6-(3-(1-methyl-4-piperazinylsulfonyl)-1-propoxy)(1,2,4)triazolo(1,5-b)pyridazine

Structural Information

Molecular Formula
C13H20N6O3S
SMILES
CN1CCN(CC1)S(=O)(=O)CCCOC2=NN3C(=NC=N3)C=C2
InChI
InChI=1S/C13H20N6O3S/c1-17-5-7-18(8-6-17)23(20,21)10-2-9-22-13-4-3-12-14-11-15-19(12)16-13/h3-4,11H,2,5-10H2,1H3
InChIKey
AXMBAQJRNUNDKN-UHFFFAOYSA-N
Compound name
6-[3-(4-methylpiperazin-1-yl)sulfonylpropoxy]-[1,2,4]triazolo[1,5-b]pyridazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

340.13177 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.13905 179.3
[M+Na]+ 363.12099 188.5
[M-H]- 339.12449 179.2
[M+NH4]+ 358.16559 187.9
[M+K]+ 379.09493 183.8
[M+H-H2O]+ 323.12903 169.6
[M+HCOO]- 385.12997 188.2
[M+CH3COO]- 399.14562 205.5
[M+Na-2H]- 361.10644 182.2
[M]+ 340.13122 182.9
[M]- 340.13232 182.9
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