CID 60508

Ammonium, ((4-methyl-3,6-pyridazinediyl)bis(oxyethylene))bis(diethylmethyl-, dibromide

Structural Information

Molecular Formula
C19H38N4O2
SMILES
CC[N+](C)(CC)CCOC1=NN=C(C(=C1)C)OCC[N+](C)(CC)CC
InChI
InChI=1S/C19H38N4O2/c1-8-22(6,9-2)12-14-24-18-16-17(5)19(21-20-18)25-15-13-23(7,10-3)11-4/h16H,8-15H2,1-7H3/q+2
InChIKey
YOSBCIOUQFSEEG-UHFFFAOYSA-N
Compound name
2-[6-[2-[diethyl(methyl)azaniumyl]ethoxy]-4-methylpyridazin-3-yl]oxyethyl-diethyl-methylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

354.29947 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.30675 187.0
[M+Na]+ 377.28869 191.5
[M-H]- 353.29219 190.3
[M+NH4]+ 372.33329 198.6
[M+K]+ 393.26263 179.1
[M+H-H2O]+ 337.29673 183.5
[M+HCOO]- 399.29767 206.7
[M+CH3COO]- 413.31332 215.9
[M+Na-2H]- 375.27414 197.8
[M]+ 354.29892 192.6
[M]- 354.30002 192.6
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.