CID 6437991

Einecs 274-907-7

Structural Information

Molecular Formula
C26H53N3O3
SMILES
CCCCCCCC/C=C/CCCCCCCC(=O)N(CCNCCNCCO)CCO
InChI
InChI=1S/C26H53N3O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-26(32)29(23-25-31)22-20-27-18-19-28-21-24-30/h9-10,27-28,30-31H,2-8,11-25H2,1H3/b10-9+
InChIKey
WXOWRDPCPRCZJX-MDZDMXLPSA-N
Compound name
(E)-N-(2-hydroxyethyl)-N-[2-[2-(2-hydroxyethylamino)ethylamino]ethyl]octadec-9-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

455.4087 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 456.41598 223.8
[M+Na]+ 478.39792 249.2
[M+NH4]+ 473.44252 240.7
[M+K]+ 494.37186 243.6
[M-H]- 454.40142 233.5
[M+Na-2H]- 476.38337 219.9
[M]+ 455.40815 239.2
[M]- 455.40925 239.2
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.