CID 5283459

Chembl121011

Structural Information

Molecular Formula
C23H39NO2
SMILES
CCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NCCO
InChI
InChI=1S/C23H39NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23(26)24-21-22-25/h7-8,10-11,13-14,16-17,25H,2-6,9,12,15,18-22H2,1H3,(H,24,26)/b8-7-,11-10-,14-13-,17-16-
InChIKey
ORVHRBKYJKEGFB-ZKWNWVNESA-N
Compound name
(5Z,8Z,11Z,14Z)-N-(2-hydroxyethyl)henicosa-5,8,11,14-tetraenamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

361.29807 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.30535 199.2
[M+Na]+ 384.28729 199.6
[M-H]- 360.29079 195.1
[M+NH4]+ 379.33189 211.0
[M+K]+ 400.26123 192.4
[M+H-H2O]+ 344.29533 191.6
[M+HCOO]- 406.29627 217.4
[M+CH3COO]- 420.31192 217.8
[M+Na-2H]- 382.27274 195.9
[M]+ 361.29752 202.5
[M]- 361.29862 202.5
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.