CID 6366284

Einecs 299-620-4

Structural Information

Molecular Formula
C22H43N3O
SMILES
CCCCC/C=C/C/C=C/CCCCCCCC(=O)NCCNCCN
InChI
InChI=1S/C22H43N3O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(26)25-21-20-24-19-18-23/h6-7,9-10,24H,2-5,8,11-21,23H2,1H3,(H,25,26)/b7-6+,10-9+
InChIKey
YEPGQAAGPHDRPO-AVQMFFATSA-N
Compound name
(9E,12E)-N-[2-(2-aminoethylamino)ethyl]octadeca-9,12-dienamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

365.3406 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.34788 199.9
[M+Na]+ 388.32982 198.6
[M-H]- 364.33332 196.6
[M+NH4]+ 383.37442 211.2
[M+K]+ 404.30376 193.2
[M+H-H2O]+ 348.33786 191.1
[M+HCOO]- 410.33880 220.7
[M+CH3COO]- 424.35445 227.8
[M+Na-2H]- 386.31527 197.2
[M]+ 365.34005 202.1
[M]- 365.34115 202.1
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.