CID 14331917

Chembl37460

Structural Information

Molecular Formula
C34H65NO3
SMILES
CCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@@H](/C=C/CC/C=C/CCCCCCCCC)O
InChI
InChI=1S/C34H65NO3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-33(37)32(31-36)35-34(38)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h19,21,27,29,32-33,36-37H,3-18,20,22-26,28,30-31H2,1-2H3,(H,35,38)/b21-19+,29-27+/t32-,33+/m0/s1
InChIKey
GMWIWVUTMCBDSP-ILAZMTIGSA-N
Compound name
N-[(2S,3R,4E,8E)-1,3-dihydroxyoctadeca-4,8-dien-2-yl]hexadecanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

535.49646 Da
Monoisotopic Mass

11.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 536.50374 250.2
[M+Na]+ 558.48568 254.5
[M+NH4]+ 553.53028 249.7
[M+K]+ 574.45962 251.9
[M-H]- 534.48918 238.6
[M+Na-2H]- 556.47113 250.5
[M]+ 535.49591 247.3
[M]- 535.49701 247.3
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

No patent data available for this compound.