CID 60354

109643-89-2

Structural Information

Molecular Formula
C18H36N4O2
SMILES
CC[N+](C)(CC)CCOC1=NN=C(C=C1)OCC[N+](C)(CC)CC
InChI
InChI=1S/C18H36N4O2/c1-7-21(5,8-2)13-15-23-17-11-12-18(20-19-17)24-16-14-22(6,9-3)10-4/h11-12H,7-10,13-16H2,1-6H3/q+2
InChIKey
GTFQTCGPQQFOIX-UHFFFAOYSA-N
Compound name
2-[6-[2-[diethyl(methyl)azaniumyl]ethoxy]pyridazin-3-yl]oxyethyl-diethyl-methylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

340.2838 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.29108 182.7
[M+Na]+ 363.27302 186.7
[M-H]- 339.27652 185.8
[M+NH4]+ 358.31762 194.6
[M+K]+ 379.24696 174.6
[M+H-H2O]+ 323.28106 179.1
[M+HCOO]- 385.28200 202.7
[M+CH3COO]- 399.29765 211.9
[M+Na-2H]- 361.25847 194.6
[M]+ 340.28325 187.6
[M]- 340.28435 187.6
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.