CID 162807915

(2r)-n-[(2s,3r,4e,8e)-1,3-dihydroxyoctadeca-4,8-dien-2-yl]-2-hydroxytetradecanamide

Structural Information

Molecular Formula
C32H61NO4
SMILES
CCCCCCCCCCCC[C@H](C(=O)N[C@@H](CO)[C@@H](/C=C/CC/C=C/CCCCCCCCC)O)O
InChI
InChI=1S/C32H61NO4/c1-3-5-7-9-11-13-15-16-17-19-20-22-24-26-30(35)29(28-34)33-32(37)31(36)27-25-23-21-18-14-12-10-8-6-4-2/h17,19,24,26,29-31,34-36H,3-16,18,20-23,25,27-28H2,1-2H3,(H,33,37)/b19-17+,26-24+/t29-,30+,31+/m0/s1
InChIKey
OXGAGPAURVYCEQ-RTXLMFJXSA-N
Compound name
(2R)-N-[(2S,3R,4E,8E)-1,3-dihydroxyoctadeca-4,8-dien-2-yl]-2-hydroxytetradecanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

523.4601 Da
Monoisotopic Mass

10.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 524.46738 243.5
[M+Na]+ 546.44932 249.1
[M-H]- 522.45282 233.8
[M+NH4]+ 541.49392 241.0
[M+K]+ 562.42326 248.4
[M+H-H2O]+ 506.45736 240.9
[M+HCOO]- 568.45830 239.6
[M+CH3COO]- 582.47395 248.1
[M+Na-2H]- 544.43477 228.0
[M]+ 523.45955 237.7
[M]- 523.46065 237.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.