CID 146170893

Chebi:149631

Structural Information

Molecular Formula
C24H45NO3
SMILES
CCCCCC(=O)N[C@@H](CO)[C@@H](/C=C/CCCCCCCC/C=C\CCC)O
InChI
InChI=1S/C24H45NO3/c1-3-5-7-8-9-10-11-12-13-14-15-16-18-19-23(27)22(21-26)25-24(28)20-17-6-4-2/h7-8,18-19,22-23,26-27H,3-6,9-17,20-21H2,1-2H3,(H,25,28)/b8-7-,19-18+/t22-,23+/m0/s1
InChIKey
FFYMXZBIZOWVCN-RPRXMZGESA-N
Compound name
N-[(2S,3R,4E,14Z)-1,3-dihydroxyoctadeca-4,14-dien-2-yl]hexanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

395.33994 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 396.34722 211.0
[M+Na]+ 418.32916 209.3
[M-H]- 394.33266 205.2
[M+NH4]+ 413.37376 213.4
[M+K]+ 434.30310 203.8
[M+H-H2O]+ 378.33720 203.2
[M+HCOO]- 440.33814 219.0
[M+CH3COO]- 454.35379 224.6
[M+Na-2H]- 416.31461 204.1
[M]+ 395.33939 214.4
[M]- 395.34049 214.4
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.