CID 6366285

93893-34-6

Structural Information

Molecular Formula
C22H41N3O
SMILES
CC/C=C/C/C=C/C/C=C/CCCCCCCC(=O)NCCNCCN
InChI
InChI=1S/C22H41N3O/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/h3-4,6-7,9-10,24H,2,5,8,11-21,23H2,1H3,(H,25,26)/b4-3+,7-6+,10-9+
InChIKey
DNMNDVSFVZUBTJ-IUQGRGSQSA-N
Compound name
(9E,12E,15E)-N-[2-(2-aminoethylamino)ethyl]octadeca-9,12,15-trienamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

363.32495 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.33223 198.8
[M+Na]+ 386.31417 197.9
[M-H]- 362.31767 195.6
[M+NH4]+ 381.35877 210.2
[M+K]+ 402.28811 191.9
[M+H-H2O]+ 346.32221 190.1
[M+HCOO]- 408.32315 219.8
[M+CH3COO]- 422.33880 226.4
[M+Na-2H]- 384.29962 196.1
[M]+ 363.32440 200.3
[M]- 363.32550 200.3
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.