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 287.3
[M+Na]+ 750.65822 287.6
[M-H]- 726.66172 274.8
[M+NH4]+ 745.70282 284.0
[M+K]+ 766.63216 293.7
[M+H-H2O]+ 710.66626 282.4
[M+HCOO]- 772.66720 268.9
[M+CH3COO]- 786.68285 283.8
[M+Na-2H]- 748.64367 265.1
[M]+ 727.66845 280.2
[M]- 727.66955 280.2
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.