CID 110450

Octadecanamide, n-[2-[[2-(acetylamino)ethyl]amino]ethyl]-

Structural Information

Molecular Formula
C24H49N3O2
SMILES
CCCCCCCCCCCCCCCCCC(=O)NCCNCCNC(=O)C
InChI
InChI=1S/C24H49N3O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-24(29)27-22-20-25-19-21-26-23(2)28/h25H,3-22H2,1-2H3,(H,26,28)(H,27,29)
InChIKey
SHQLDWYESWLYLL-UHFFFAOYSA-N
Compound name
N-[2-(2-acetamidoethylamino)ethyl]octadecanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

411.38248 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 412.38976 213.7
[M+Na]+ 434.37170 210.8
[M-H]- 410.37520 210.5
[M+NH4]+ 429.41630 235.4
[M+K]+ 450.34564 206.9
[M+H-H2O]+ 394.37974 204.2
[M+HCOO]- 456.38068 241.4
[M+CH3COO]- 470.39633 238.5
[M+Na-2H]- 432.35715 209.7
[M]+ 411.38193 219.2
[M]- 411.38303 219.2
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

No patent data available for this compound.