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

2
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

literature stripe

Patent stripe

patents stripe