CID 6366311

93942-12-2

Structural Information

Molecular Formula
C24H46N4O
SMILES
CC/C=C/C/C=C/C/C=C/CCCCCCCC(=O)NCCNCCNCCN
InChI
InChI=1S/C24H46N4O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24(29)28-23-22-27-21-20-26-19-18-25/h3-4,6-7,9-10,26-27H,2,5,8,11-23,25H2,1H3,(H,28,29)/b4-3+,7-6+,10-9+
InChIKey
CYFSEFXOZKXQFQ-IUQGRGSQSA-N
Compound name
(9E,12E,15E)-N-[2-[2-(2-aminoethylamino)ethylamino]ethyl]octadeca-9,12,15-trienamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

406.36716 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.37444 208.3
[M+Na]+ 429.35638 205.7
[M-H]- 405.35988 204.7
[M+NH4]+ 424.40098 231.8
[M+K]+ 445.33032 199.4
[M+H-H2O]+ 389.36442 198.7
[M+HCOO]- 451.36536 229.6
[M+CH3COO]- 465.38101 237.6
[M+Na-2H]- 427.34183 205.2
[M]+ 406.36661 209.7
[M]- 406.36771 209.7
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.