CID 171119515

Cer(d18:2/25:0(2oh))

Structural Information

Molecular Formula
C43H83NO4
SMILES
CCCCCCCCCCCCCCCCCCCCCCCC(C(=O)N[C@@H](CO)[C@@H](/C=C/CCCCCCCC/C=C\CCC)O)O
InChI
InChI=1S/C43H83NO4/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-28-30-32-34-36-38-42(47)43(48)44-40(39-45)41(46)37-35-33-31-29-27-25-16-14-12-10-8-6-4-2/h8,10,35,37,40-42,45-47H,3-7,9,11-34,36,38-39H2,1-2H3,(H,44,48)/b10-8-,37-35+/t40-,41+,42?/m0/s1
InChIKey
PXJFKJHNEDNKHW-SGFUIDAXSA-N
Compound name
N-[(2S,3R,4E,14Z)-1,3-dihydroxyoctadeca-4,14-dien-2-yl]-2-hydroxypentacosanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

677.6322 Da
Monoisotopic Mass

16.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 678.63948 279.4
[M+Na]+ 700.62142 283.2
[M-H]- 676.62492 265.6
[M+NH4]+ 695.66602 276.6
[M+K]+ 716.59536 286.9
[M+H-H2O]+ 660.62946 275.6
[M+HCOO]- 722.63040 271.3
[M+CH3COO]- 736.64605 278.5
[M+Na-2H]- 698.60687 259.3
[M]+ 677.63165 273.4
[M]- 677.63275 273.4
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.