CID 137700204

34227-73-1

Structural Information

Molecular Formula
C50H99NO3
SMILES
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@@H](/C=C/CCCCCCCCCCCCC)O
InChI
InChI=1S/C50H99NO3/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-34-36-38-40-42-44-46-50(54)51-48(47-52)49(53)45-43-41-39-37-35-33-16-14-12-10-8-6-4-2/h43,45,48-49,52-53H,3-42,44,46-47H2,1-2H3,(H,51,54)/b45-43+/t48-,49+/m0/s1
InChIKey
MUQBXENBHQWWAY-SDOSYGGKSA-N
Compound name
N-[(E,2S,3R)-1,3-dihydroxyoctadec-4-en-2-yl]dotriacontanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

761.7625 Da
Monoisotopic Mass

21.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 762.76978 304.4
[M+Na]+ 784.75172 307.5
[M-H]- 760.75522 285.4
[M+NH4]+ 779.79632 301.2
[M+K]+ 800.72566 314.0
[M+H-H2O]+ 744.75976 300.3
[M+HCOO]- 806.76070 297.0
[M+CH3COO]- 820.77635 298.2
[M+Na-2H]- 782.73717 281.5
[M]+ 761.76195 299.7
[M]- 761.76305 299.7
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.