CID 6366310

93942-10-0

Structural Information

Molecular Formula
C24H48N4O
SMILES
CCCCC/C=C/C/C=C/CCCCCCCC(=O)NCCNCCNCCN
InChI
InChI=1S/C24H48N4O/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/h6-7,9-10,26-27H,2-5,8,11-23,25H2,1H3,(H,28,29)/b7-6+,10-9+
InChIKey
ZOHQBCHYQPFLNG-AVQMFFATSA-N
Compound name
(9E,12E)-N-[2-[2-(2-aminoethylamino)ethylamino]ethyl]octadeca-9,12-dienamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

408.3828 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.39008 209.2
[M+Na]+ 431.37202 206.2
[M-H]- 407.37552 205.5
[M+NH4]+ 426.41662 233.9
[M+K]+ 447.34596 200.6
[M+H-H2O]+ 391.38006 199.5
[M+HCOO]- 453.38100 230.3
[M+CH3COO]- 467.39665 239.0
[M+Na-2H]- 429.35747 206.1
[M]+ 408.38225 211.4
[M]- 408.38335 211.4
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

No patent data available for this compound.