CID 111587

Einecs 272-279-9

Structural Information

Molecular Formula
C24H48N2O2
SMILES
CCN(CCNC(=O)CCCCCCCCCCCCCCCC=C)CCO
InChI
InChI=1S/C24H48N2O2/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/h3,27H,1,4-23H2,2H3,(H,25,28)
InChIKey
KEIZUYBXDGZHOM-UHFFFAOYSA-N
Compound name
N-[2-[ethyl(2-hydroxyethyl)amino]ethyl]octadec-17-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

396.37158 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.37886 211.4
[M+Na]+ 419.36080 209.4
[M-H]- 395.36430 208.2
[M+NH4]+ 414.40540 226.7
[M+K]+ 435.33474 205.2
[M+H-H2O]+ 379.36884 202.5
[M+HCOO]- 441.36978 233.9
[M+CH3COO]- 455.38543 234.0
[M+Na-2H]- 417.34625 207.0
[M]+ 396.37103 217.9
[M]- 396.37213 217.9
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.