CID 6366312

93942-18-8

Structural Information

Molecular Formula
C26H55N5O
SMILES
CCCCCCCC/C=C/CCCCCCCC(=O)NCCNCCNCCNCCN
InChI
InChI=1S/C26H55N5O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-26(32)31-25-24-30-23-22-29-21-20-28-19-18-27/h9-10,28-30H,2-8,11-25,27H2,1H3,(H,31,32)/b10-9+
InChIKey
SXOWMZMPDLJQJP-MDZDMXLPSA-N
Compound name
(E)-N-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethyl]octadec-9-enamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

453.44067 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 454.44795 218.1
[M+Na]+ 476.42989 213.0
[M-H]- 452.43339 213.9
[M+NH4]+ 471.47449 249.9
[M+K]+ 492.40383 207.9
[M+H-H2O]+ 436.43793 207.4
[M+HCOO]- 498.43887 257.6
[M+CH3COO]- 512.45452 251.4
[M+Na-2H]- 474.41534 214.7
[M]+ 453.44012 220.9
[M]- 453.44122 220.9
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.