CID 171119524

Cer(d18:2/30:0(30oh))

Structural Information

Molecular Formula
C48H93NO4
SMILES
CCC/C=C\CCCCCCCC/C=C/[C@H]([C@H](CO)NC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCCCCO)O
InChI
InChI=1S/C48H93NO4/c1-2-3-4-5-6-7-8-24-27-30-33-36-39-42-47(52)46(45-51)49-48(53)43-40-37-34-31-28-25-22-20-18-16-14-12-10-9-11-13-15-17-19-21-23-26-29-32-35-38-41-44-50/h4-5,39,42,46-47,50-52H,2-3,6-38,40-41,43-45H2,1H3,(H,49,53)/b5-4-,42-39+/t46-,47+/m0/s1
InChIKey
QEZAQBUQFWQDLR-JULXYCROSA-N
Compound name
N-[(2S,3R,4E,14Z)-1,3-dihydroxyoctadeca-4,14-dien-2-yl]-30-hydroxytriacontanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

747.71045 Da
Monoisotopic Mass

17.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 748.71773 296.1
[M+Na]+ 770.69967 298.5
[M-H]- 746.70317 278.9
[M+NH4]+ 765.74427 291.7
[M+K]+ 786.67361 303.8
[M+H-H2O]+ 730.70771 291.3
[M+HCOO]- 792.70865 288.5
[M+CH3COO]- 806.72430 291.2
[M+Na-2H]- 768.68512 273.4
[M]+ 747.70990 290.1
[M]- 747.71100 290.1
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.