CID 87054

10248-74-5

Structural Information

Molecular Formula
C24H49NO4
SMILES
CCCCCCCCCCCCCCCCCC(=O)OCCN(CCO)CCO
InChI
InChI=1S/C24H49NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24(28)29-23-20-25(18-21-26)19-22-27/h26-27H,2-23H2,1H3
InChIKey
FVIMRJIDRHUTQP-UHFFFAOYSA-N
Compound name
2-[bis(2-hydroxyethyl)amino]ethyl octadecanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

317
Patents

415.36615 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 416.37343 212.3
[M+Na]+ 438.35537 215.7
[M+NH4]+ 433.39997 225.2
[M+K]+ 454.32931 224.9
[M-H]- 414.35887 214.0
[M+Na-2H]- 436.34082 209.1
[M]+ 415.36560 211.1
[M]- 415.36670 211.1
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

patents stripe