CID 19140

Win 4981

Structural Information

Molecular Formula
C20H40N4O2
SMILES
CC[N+](C)(CC)CCCOC1=NN=C(C=C1)OCCC[N+](C)(CC)CC
InChI
InChI=1S/C20H40N4O2/c1-7-23(5,8-2)15-11-17-25-19-13-14-20(22-21-19)26-18-12-16-24(6,9-3)10-4/h13-14H,7-12,15-18H2,1-6H3/q+2
InChIKey
SGOSWQNQSLIHKM-UHFFFAOYSA-N
Compound name
3-[6-[3-[diethyl(methyl)azaniumyl]propoxy]pyridazin-3-yl]oxypropyl-diethyl-methylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

368.31512 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.32240 192.0
[M+Na]+ 391.30434 195.0
[M-H]- 367.30784 194.7
[M+NH4]+ 386.34894 202.6
[M+K]+ 407.27828 182.4
[M+H-H2O]+ 351.31238 187.9
[M+HCOO]- 413.31332 211.3
[M+CH3COO]- 427.32897 217.8
[M+Na-2H]- 389.28979 202.8
[M]+ 368.31457 197.5
[M]- 368.31567 197.5
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

No patent data available for this compound.