CID 5283453

Cis-5,8,11,14-eicosatetraynoyl ethanolamide

Structural Information

Molecular Formula
C22H29NO2
SMILES
CCCCCC#CCC#CCC#CCC#CCCCC(=O)NCCO
InChI
InChI=1S/C22H29NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(25)23-20-21-24/h24H,2-5,8,11,14,17-21H2,1H3,(H,23,25)
InChIKey
WIKCFYFHZDOIDT-UHFFFAOYSA-N
Compound name
N-(2-hydroxyethyl)icosa-5,8,11,14-tetraynamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

339.21982 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.22710 169.9
[M+Na]+ 362.20904 174.4
[M-H]- 338.21254 173.0
[M+NH4]+ 357.25364 173.1
[M+K]+ 378.18298 171.7
[M+H-H2O]+ 322.21708 162.4
[M+HCOO]- 384.21802 169.8
[M+CH3COO]- 398.23367 247.0
[M+Na-2H]- 360.19449 166.4
[M]+ 339.21927 165.3
[M]- 339.22037 165.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.