CID 3073790

152537-63-8

Structural Information

Molecular Formula
C16H27N5O3S
SMILES
CCC(CC)(CCCCS(=O)(=O)N)COC1=NN2C(=NC=N2)C=C1C
InChI
InChI=1S/C16H27N5O3S/c1-4-16(5-2,8-6-7-9-25(17,22)23)11-24-15-13(3)10-14-18-12-19-21(14)20-15/h10,12H,4-9,11H2,1-3H3,(H2,17,22,23)
InChIKey
QRBCZOIEZLETND-UHFFFAOYSA-N
Compound name
5-ethyl-5-[(7-methyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)oxymethyl]heptane-1-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

369.18347 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.19075 191.3
[M+Na]+ 392.17269 199.9
[M-H]- 368.17619 190.5
[M+NH4]+ 387.21729 201.6
[M+K]+ 408.14663 195.2
[M+H-H2O]+ 352.18073 183.2
[M+HCOO]- 414.18167 203.4
[M+CH3COO]- 428.19732 216.0
[M+Na-2H]- 390.15814 194.7
[M]+ 369.18292 199.5
[M]- 369.18402 199.5
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