CID 3073786

152537-59-2

Structural Information

Molecular Formula
C13H21N5O3S
SMILES
CCC(CC)(COC1=NN2C(=NC=N2)C=C1C)CS(=O)(=O)N
InChI
InChI=1S/C13H21N5O3S/c1-4-13(5-2,8-22(14,19)20)7-21-12-10(3)6-11-15-9-16-18(11)17-12/h6,9H,4-5,7-8H2,1-3H3,(H2,14,19,20)
InChIKey
OQGLMJWGJNCHNA-UHFFFAOYSA-N
Compound name
2-ethyl-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

19
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 178.7
[M+Na]+ 350.12572 188.7
[M-H]- 326.12922 178.5
[M+NH4]+ 345.17032 190.8
[M+K]+ 366.09966 184.7
[M+H-H2O]+ 310.13376 171.2
[M+HCOO]- 372.13470 191.8
[M+CH3COO]- 386.15035 207.2
[M+Na-2H]- 348.11117 183.4
[M]+ 327.13595 185.9
[M]- 327.13705 185.9
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