CID 103098

65059-90-7

Structural Information

Molecular Formula
C26H48NO2
SMILES
CCCCCCCCCCCCCCC[N+](CCO)(CCO)CC1=CC=CC=C1
InChI
InChI=1S/C26H48NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-20-27(21-23-28,22-24-29)25-26-18-15-14-16-19-26/h14-16,18-19,28-29H,2-13,17,20-25H2,1H3/q+1
InChIKey
DSXLZJIJFBUMJZ-UHFFFAOYSA-N
Compound name
benzyl-bis(2-hydroxyethyl)-pentadecylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

406.3685 Da
Monoisotopic Mass

7.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.37578 209.6
[M+Na]+ 429.35772 219.2
[M+NH4]+ 424.40232 216.0
[M+K]+ 445.33166 210.3
[M-H]- 405.36122 212.3
[M+Na-2H]- 427.34317 213.1
[M]+ 406.36795 212.0
[M]- 406.36905 212.0
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

No patent data available for this compound.