CID 18512

Diethylaminoethyl stearate

Structural Information

Molecular Formula
C24H49NO2
SMILES
CCCCCCCCCCCCCCCCCC(=O)OCCN(CC)CC
InChI
InChI=1S/C24H49NO2/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24(26)27-23-22-25(5-2)6-3/h4-23H2,1-3H3
InChIKey
QZJDYFVPLXBWTK-UHFFFAOYSA-N
Compound name
2-(diethylamino)ethyl octadecanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

664
Patents

383.37634 Da
Monoisotopic Mass

9.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.38362 206.5
[M+Na]+ 406.36556 212.0
[M+NH4]+ 401.41016 222.4
[M+K]+ 422.33950 203.5
[M-H]- 382.36906 205.4
[M+Na-2H]- 404.35101 205.5
[M]+ 383.37579 206.5
[M]- 383.37689 206.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe