CID 45738

As-4148

Structural Information

Molecular Formula
C22H50N2O
SMILES
CCCCCC[N+](C)(C)CCOCC[N+](CC)(CC)CCCCCC
InChI
InChI=1S/C22H50N2O/c1-7-11-13-15-17-23(5,6)19-21-25-22-20-24(9-3,10-4)18-16-14-12-8-2/h7-22H2,1-6H3/q+2
InChIKey
GQEFPVPDDCHRGL-UHFFFAOYSA-N
Compound name
diethyl-hexyl-[2-[2-[hexyl(dimethyl)azaniumyl]ethoxy]ethyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

358.3923 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.39958 196.3
[M+Na]+ 381.38152 197.1
[M-H]- 357.38502 231.9
[M+NH4]+ 376.42612 238.8
[M+K]+ 397.35546 184.6
[M+H-H2O]+ 341.38956 194.8
[M+HCOO]- 403.39050 259.6
[M+CH3COO]- 417.40615 220.9
[M+Na-2H]- 379.36697 203.2
[M]+ 358.39175 239.4
[M]- 358.39285 239.4
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.