CID 171119504

Cer(d18:1/26:0(26oh))

Structural Information

Molecular Formula
C44H87NO4
SMILES
CCCCCCCCCCCCC/C=C/[C@H]([C@H](CO)NC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCO)O
InChI
InChI=1S/C44H87NO4/c1-2-3-4-5-6-7-8-20-23-26-29-32-35-38-43(48)42(41-47)45-44(49)39-36-33-30-27-24-21-18-16-14-12-10-9-11-13-15-17-19-22-25-28-31-34-37-40-46/h35,38,42-43,46-48H,2-34,36-37,39-41H2,1H3,(H,45,49)/b38-35+/t42-,43+/m0/s1
InChIKey
WMESRFNRYSDHME-VWVMSPAFSA-N
Compound name
N-[(E,2S,3R)-1,3-dihydroxyoctadec-4-en-2-yl]-26-hydroxyhexacosanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

693.6635 Da
Monoisotopic Mass

16.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 694.67078 286.6
[M+Na]+ 716.65272 289.0
[M-H]- 692.65622 270.0
[M+NH4]+ 711.69732 281.9
[M+K]+ 732.62666 293.1
[M+H-H2O]+ 676.66076 282.0
[M+HCOO]- 738.66170 279.6
[M+CH3COO]- 752.67735 281.7
[M+Na-2H]- 714.63817 264.8
[M]+ 693.66295 280.6
[M]- 693.66405 280.6
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.