CID 90705

Palmitic acid, n-(aminoethyl)ethanolamide

Structural Information

Molecular Formula
C20H42N2O2
SMILES
CCCCCCCCCCCCCCCC(=O)NCCNCCO
InChI
InChI=1S/C20H42N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20(24)22-17-16-21-18-19-23/h21,23H,2-19H2,1H3,(H,22,24)
InChIKey
YAGLIFQYQDBQLD-UHFFFAOYSA-N
Compound name
N-[2-(2-hydroxyethylamino)ethyl]hexadecanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

342.32462 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.33190 193.9
[M+Na]+ 365.31384 193.1
[M-H]- 341.31734 190.0
[M+NH4]+ 360.35844 206.0
[M+K]+ 381.28778 189.2
[M+H-H2O]+ 325.32188 185.8
[M+HCOO]- 387.32282 213.3
[M+CH3COO]- 401.33847 219.7
[M+Na-2H]- 363.29929 192.4
[M]+ 342.32407 198.4
[M]- 342.32517 198.4
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