CID 111903

68957-51-7

Structural Information

Molecular Formula
C24H50N2O2
SMILES
CCCCCCCCCCCCCCCCCC(=O)NCCN(CC)CCO
InChI
InChI=1S/C24H50N2O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24(28)25-20-21-26(4-2)22-23-27/h27H,3-23H2,1-2H3,(H,25,28)
InChIKey
MMDGHDVJSIHPEQ-UHFFFAOYSA-N
Compound name
N-[2-[ethyl(2-hydroxyethyl)amino]ethyl]octadecanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

398.38724 Da
Monoisotopic Mass

7.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.39452 213.0
[M+Na]+ 421.37646 210.7
[M-H]- 397.37996 209.8
[M+NH4]+ 416.42106 229.5
[M+K]+ 437.35040 207.2
[M+H-H2O]+ 381.38450 204.0
[M+HCOO]- 443.38544 236.1
[M+CH3COO]- 457.40109 234.8
[M+Na-2H]- 419.36191 208.5
[M]+ 398.38669 220.2
[M]- 398.38779 220.2
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