CID 51059962

1-ethoxy-n-(4-methoxybenzyl)-n,n-dimethyl-1-oxo-2-hexadecanaminium chloride

Structural Information

Molecular Formula
C28H50NO3
SMILES
CCCCCCCCCCCCCCC(C(=O)OCC)[N+](C)(C)CC1=CC=C(C=C1)OC
InChI
InChI=1S/C28H50NO3/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-27(28(30)32-7-2)29(3,4)24-25-20-22-26(31-5)23-21-25/h20-23,27H,6-19,24H2,1-5H3/q+1
InChIKey
CMQYMTVKUZMZFE-UHFFFAOYSA-N
Compound name
(1-ethoxy-1-oxohexadecan-2-yl)-[(4-methoxyphenyl)methyl]-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

448.37906 Da
Monoisotopic Mass

9.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 449.38634 219.0
[M+Na]+ 471.36828 228.6
[M+NH4]+ 466.41288 224.8
[M+K]+ 487.34222 220.9
[M-H]- 447.37178 221.6
[M+Na-2H]- 469.35373 221.9
[M]+ 448.37851 221.4
[M]- 448.37961 221.4
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

No patent data available for this compound.