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 211.4
[M+Na]+ 429.35772 210.3
[M-H]- 405.36122 210.5
[M+NH4]+ 424.40232 221.1
[M+K]+ 445.33166 199.0
[M+H-H2O]+ 389.36576 205.4
[M+HCOO]- 451.36670 228.0
[M+CH3COO]- 465.38235 222.3
[M+Na-2H]- 427.34317 213.5
[M]+ 406.36795 215.5
[M]- 406.36905 215.5
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.