CID 53356671

Ceramide d (c26)

Structural Information

Molecular Formula
C44H89NO6
SMILES
CCCCCCCCCCCCCCCCCCCCCCC[C@H]([C@@H](C(=O)N[C@@H](CO)[C@@H]([C@@H](CCCCCCCCCCCCCC)O)O)O)O
InChI
InChI=1S/C44H89NO6/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-27-29-31-33-35-37-41(48)43(50)44(51)45-39(38-46)42(49)40(47)36-34-32-30-28-26-16-14-12-10-8-6-4-2/h39-43,46-50H,3-38H2,1-2H3,(H,45,51)/t39-,40+,41+,42-,43-/m0/s1
InChIKey
IMHKEXOLDHXQAG-SUUDYLNVSA-N
Compound name
(2S,3R)-2,3-dihydroxy-N-[(2S,3S,4R)-1,3,4-trihydroxyoctadecan-2-yl]hexacosanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

727.669 Da
Monoisotopic Mass

15.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 728.67628 290.3
[M+Na]+ 750.65822 292.2
[M+NH4]+ 745.70282 291.6
[M+K]+ 766.63216 292.9
[M-H]- 726.66172 279.9
[M+Na-2H]- 748.64367 287.7
[M]+ 727.66845 287.7
[M]- 727.66955 287.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.