CID 5283457

Chembl120889

Structural Information

Molecular Formula
C26H45NO2
SMILES
CCCCCCC(C)(C)/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NCCO
InChI
InChI=1S/C26H45NO2/c1-4-5-6-18-21-26(2,3)22-19-16-14-12-10-8-7-9-11-13-15-17-20-25(29)27-23-24-28/h7-8,11-14,19,22,28H,4-6,9-10,15-18,20-21,23-24H2,1-3H3,(H,27,29)/b8-7-,13-11-,14-12-,22-19-
InChIKey
OSHWPCDXHKYMLM-FARPMTRTSA-N
Compound name
(5Z,8Z,11Z,14Z)-N-(2-hydroxyethyl)-16,16-dimethyldocosa-5,8,11,14-tetraenamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

2
Patents

403.34503 Da
Monoisotopic Mass

7.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 404.35231 212.4
[M+Na]+ 426.33425 212.0
[M-H]- 402.33775 208.0
[M+NH4]+ 421.37885 212.5
[M+K]+ 442.30819 204.6
[M+H-H2O]+ 386.34229 205.0
[M+HCOO]- 448.34323 225.8
[M+CH3COO]- 462.35888 227.0
[M+Na-2H]- 424.31970 208.5
[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

patents stripe