CID 5283401

Chembl151862

Structural Information

Molecular Formula
C24H41NO
SMILES
CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)N[C@@H](C)CC
InChI
InChI=1S/C24H41NO/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24(26)25-23(3)5-2/h9-10,12-13,15-16,18-19,23H,4-8,11,14,17,20-22H2,1-3H3,(H,25,26)/b10-9-,13-12-,16-15-,19-18-/t23-/m0/s1
InChIKey
FSBHLSINBYYIIF-HRJYBQMVSA-N
Compound name
(5Z,8Z,11Z,14Z)-N-[(2S)-butan-2-yl]icosa-5,8,11,14-tetraenamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

359.31882 Da
Monoisotopic Mass

7.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.32610 201.5
[M+Na]+ 382.30804 201.8
[M-H]- 358.31154 198.8
[M+NH4]+ 377.35264 214.1
[M+K]+ 398.28198 195.2
[M+H-H2O]+ 342.31608 193.9
[M+HCOO]- 404.31702 219.7
[M+CH3COO]- 418.33267 222.1
[M+Na-2H]- 380.29349 196.8
[M]+ 359.31827 205.0
[M]- 359.31937 205.0
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

No patent data available for this compound.