CID 171119528

Cer(d18:2/32:0)

Structural Information

Molecular Formula
C50H97NO3
SMILES
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@@H](/C=C/CCCCCCCC/C=C\CCC)O
InChI
InChI=1S/C50H97NO3/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/h8,10,43,45,48-49,52-53H,3-7,9,11-42,44,46-47H2,1-2H3,(H,51,54)/b10-8-,45-43+/t48-,49+/m0/s1
InChIKey
UMEAODWLCXLVFE-XQXDOJSKSA-N
Compound name
N-[(2S,3R,4E,14Z)-1,3-dihydroxyoctadeca-4,14-dien-2-yl]dotriacontanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

759.7468 Da
Monoisotopic Mass

20.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 760.75408 301.7
[M+Na]+ 782.73602 305.4
[M-H]- 758.73952 283.6
[M+NH4]+ 777.78062 298.8
[M+K]+ 798.70996 311.5
[M+H-H2O]+ 742.74406 297.7
[M+HCOO]- 804.74500 295.1
[M+CH3COO]- 818.76065 297.2
[M+Na-2H]- 780.72147 279.3
[M]+ 759.74625 296.8
[M]- 759.74735 296.8
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.