CID 5283462

Chembl121490

Structural Information

Molecular Formula
C26H45NO2
SMILES
CCCCCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NCCO
InChI
InChI=1S/C26H45NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-26(29)27-24-25-28/h10-11,13-14,16-17,19-20,28H,2-9,12,15,18,21-25H2,1H3,(H,27,29)/b11-10-,14-13-,17-16-,20-19-
InChIKey
VSXMETRRPGNXGU-AILJCPQKSA-N
Compound name
(5Z,8Z,11Z,14Z)-N-(2-hydroxyethyl)tetracosa-5,8,11,14-tetraenamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

403.34503 Da
Monoisotopic Mass

7.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 404.35231 211.9
[M+Na]+ 426.33425 211.0
[M-H]- 402.33775 207.2
[M+NH4]+ 421.37885 216.1
[M+K]+ 442.30819 203.1
[M+H-H2O]+ 386.34229 203.8
[M+HCOO]- 448.34323 229.8
[M+CH3COO]- 462.35888 226.7
[M+Na-2H]- 424.31970 207.1
[M]+ 403.34448 216.3
[M]- 403.34558 216.3
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

No patent data available for this compound.