CID 5283407

Chembl158880

Structural Information

Molecular Formula
C26H46N2O
SMILES
CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NCCN(CC)CC
InChI
InChI=1S/C26H46N2O/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-26(29)27-24-25-28(5-2)6-3/h10-11,13-14,16-17,19-20H,4-9,12,15,18,21-25H2,1-3H3,(H,27,29)/b11-10-,14-13-,17-16-,20-19-
InChIKey
LOZCJJDEBAPQGP-AILJCPQKSA-N
Compound name
(5Z,8Z,11Z,14Z)-N-[2-(diethylamino)ethyl]icosa-5,8,11,14-tetraenamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

402.36102 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.36830 213.6
[M+Na]+ 425.35024 212.6
[M-H]- 401.35374 211.8
[M+NH4]+ 420.39484 230.0
[M+K]+ 441.32418 206.4
[M+H-H2O]+ 385.35828 204.8
[M+HCOO]- 447.35922 238.0
[M+CH3COO]- 461.37487 235.6
[M+Na-2H]- 423.33569 208.7
[M]+ 402.36047 219.0
[M]- 402.36157 219.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe