CID 6410649

2-((8-chloropyrido(2,3-d)pyridazin-5-yl)oxy)-n,n,n-triethylethanaminium iodide

Structural Information

Molecular Formula
C15H22ClN4O
SMILES
CC[N+](CC)(CC)CCOC1=NN=C(C2=C1C=CC=N2)Cl
InChI
InChI=1S/C15H22ClN4O/c1-4-20(5-2,6-3)10-11-21-15-12-8-7-9-17-13(12)14(16)18-19-15/h7-9H,4-6,10-11H2,1-3H3/q+1
InChIKey
HUXAGIWWERVJFW-UHFFFAOYSA-N
Compound name
2-(8-chloropyrido[2,3-d]pyridazin-5-yl)oxyethyl-triethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

309.14822 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.15550 172.2
[M+Na]+ 332.13744 180.4
[M-H]- 308.14094 173.5
[M+NH4]+ 327.18204 185.4
[M+K]+ 348.11138 170.2
[M+H-H2O]+ 292.14548 165.8
[M+HCOO]- 354.14642 186.4
[M+CH3COO]- 368.16207 204.1
[M+Na-2H]- 330.12289 182.7
[M]+ 309.14767 177.3
[M]- 309.14877 177.3
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

No patent data available for this compound.