CID 6366314

Einecs 300-572-4

Structural Information

Molecular Formula
C26H51N5O
SMILES
CC/C=C/C/C=C/C/C=C/CCCCCCCC(=O)NCCNCCNCCNCCN
InChI
InChI=1S/C26H51N5O/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/h3-4,6-7,9-10,28-30H,2,5,8,11-25,27H2,1H3,(H,31,32)/b4-3+,7-6+,10-9+
InChIKey
NGEWKRJKIDUTQY-IUQGRGSQSA-N
Compound name
(9E,12E,15E)-N-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethyl]octadeca-9,12,15-trienamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

449.40936 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 450.41664 216.6
[M+Na]+ 472.39858 212.2
[M-H]- 448.40208 212.6
[M+NH4]+ 467.44318 245.2
[M+K]+ 488.37252 205.9
[M+H-H2O]+ 432.40662 206.1
[M+HCOO]- 494.40756 254.1
[M+CH3COO]- 508.42321 248.7
[M+Na-2H]- 470.38403 213.2
[M]+ 449.40881 217.9
[M]- 449.40991 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.