CID 16061185

169232-04-6

Structural Information

Molecular Formula
C22H39NO2
SMILES
CCCCCCCC/C=C\C/C=C\C/C=C\CCCC(=O)NCCO
InChI
InChI=1S/C22H39NO2/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/h9-10,12-13,15-16,24H,2-8,11,14,17-21H2,1H3,(H,23,25)/b10-9-,13-12-,16-15-
InChIKey
YKGQBEGMUSSPFY-YOILPLPUSA-N
Compound name
(5Z,8Z,11Z)-N-(2-hydroxyethyl)icosa-5,8,11-trienamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

118
Patents

349.29807 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.30535 196.3
[M+Na]+ 372.28729 196.7
[M-H]- 348.29079 192.3
[M+NH4]+ 367.33189 208.6
[M+K]+ 388.26123 190.4
[M+H-H2O]+ 332.29533 188.8
[M+HCOO]- 394.29627 214.6
[M+CH3COO]- 408.31192 216.2
[M+Na-2H]- 370.27274 193.5
[M]+ 349.29752 200.0
[M]- 349.29862 200.0
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

patents stripe