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
3
Annotation Hits

0
References

512
Patents

383.37634 Da
Monoisotopic Mass

9.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.383616 210.4
[M+Na]+ 406.365558 209.5
[M-H]- 382.369064 208.7
[M+NH4]+ 401.410163 222.7
[M+K]+ 422.339498 206.7
[M+H-H2O]+ 366.373600 201.8
[M+HCOO]- 428.374541 229.4
[M+CH3COO]- 442.390191 232.4
[M+Na-2H]- 404.351006 206.0
[M]+ 383.37579142 220.4
[M]- 383.37688858 220.4
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