CID 5283427

Chembl121384

Structural Information

Molecular Formula
C27H47NO2
SMILES
CCCCCCC(C)(C)/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NCCOC
InChI
InChI=1S/C27H47NO2/c1-5-6-7-19-22-27(2,3)23-20-17-15-13-11-9-8-10-12-14-16-18-21-26(29)28-24-25-30-4/h8-9,12-15,20,23H,5-7,10-11,16-19,21-22,24-25H2,1-4H3,(H,28,29)/b9-8-,14-12-,15-13-,23-20-
InChIKey
KDHDLCAGLCQLAO-RPHFINAJSA-N
Compound name
(5Z,8Z,11Z,14Z)-N-(2-methoxyethyl)-16,16-dimethyldocosa-5,8,11,14-tetraenamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

417.3607 Da
Monoisotopic Mass

7.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 418.36798 216.5
[M+Na]+ 440.34992 216.2
[M-H]- 416.35342 213.4
[M+NH4]+ 435.39452 219.6
[M+K]+ 456.32386 209.4
[M+H-H2O]+ 400.35796 208.8
[M+HCOO]- 462.35890 231.9
[M+CH3COO]- 476.37455 232.4
[M+Na-2H]- 438.33537 212.6
[M]+ 417.36015 222.9
[M]- 417.36125 222.9
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.