CID 116581

64346-26-5

Structural Information

Molecular Formula
C28H52NO2
SMILES
CCCCCCCCCCCCCCCCC[N+](CCO)(CCO)CC1=CC=CC=C1
InChI
InChI=1S/C28H52NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-29(23-25-30,24-26-31)27-28-20-17-16-18-21-28/h16-18,20-21,30-31H,2-15,19,22-27H2,1H3/q+1
InChIKey
MPLRWJRUXXOZPM-UHFFFAOYSA-N
Compound name
benzyl-heptadecyl-bis(2-hydroxyethyl)azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

434.3998 Da
Monoisotopic Mass

8.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 435.40708 218.5
[M+Na]+ 457.38902 227.7
[M+NH4]+ 452.43362 224.6
[M+K]+ 473.36296 218.3
[M-H]- 433.39252 221.1
[M+Na-2H]- 455.37447 221.5
[M]+ 434.39925 220.7
[M]- 434.40035 220.7
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.