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
2
Annotation Hits

0
References

14
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 309.2
[M+Na]+ 675.71017 312.4
[M-H]- 651.71367 295.9
[M+NH4]+ 670.75477 307.7
[M+K]+ 691.68411 314.5
[M+H-H2O]+ 635.71821 293.7
[M+HCOO]- 697.71915 318.2
[M+CH3COO]- 711.73480 277.9
[M+Na-2H]- 673.69562 287.5
[M]+ 652.72040 305.4
[M]- 652.72150 305.4
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

patents stripe