CID 5283445

150314-37-7

Structural Information

Molecular Formula
C20H35NO2
SMILES
CCCCC/C=C\C/C=C\C/C=C\CCCCC(=O)NCCO
InChI
InChI=1S/C20H35NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(23)21-18-19-22/h6-7,9-10,12-13,22H,2-5,8,11,14-19H2,1H3,(H,21,23)/b7-6-,10-9-,13-12-
InChIKey
KRDUNUMTOBLEPM-QNEBEIHSSA-N
Compound name
(6Z,9Z,12Z)-N-(2-hydroxyethyl)octadeca-6,9,12-trienamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

8
Patents

321.26678 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.27406 187.7
[M+Na]+ 344.25600 188.9
[M-H]- 320.25950 184.1
[M+NH4]+ 339.30060 201.1
[M+K]+ 360.22994 183.1
[M+H-H2O]+ 304.26404 180.5
[M+HCOO]- 366.26498 206.7
[M+CH3COO]- 380.28063 210.3
[M+Na-2H]- 342.24145 185.9
[M]+ 321.26623 190.6
[M]- 321.26733 190.6
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