CID 14624563

118516-73-7

Structural Information

Molecular Formula
C43H92N2O
SMILES
CCCCCCCCCCCCCCCCCC[N+](C)(C)CC(C[N+](C)(C)CCCCCCCCCCCCCCCCCC)O
InChI
InChI=1S/C43H92N2O/c1-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-44(3,4)41-43(46)42-45(5,6)40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-2/h43,46H,7-42H2,1-6H3/q+2
InChIKey
SEWDFGRBCQXEGT-UHFFFAOYSA-N
Compound name
[3-[dimethyl(octadecyl)azaniumyl]-2-hydroxypropyl]-dimethyl-octadecylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

652.72095 Da
Monoisotopic Mass

17.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 653.72823 295.4
[M+Na]+ 675.71017 295.8
[M+NH4]+ 670.75477 298.5
[M+K]+ 691.68411 297.2
[M-H]- 651.71367 286.3
[M+Na-2H]- 673.69562 278.9
[M]+ 652.72040 293.0
[M]- 652.72150 293.0
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

patents stripe