CID 5283574

C20 dihydroceramide

Structural Information

Molecular Formula
C38H77NO3
SMILES
CCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@@H](CCCCCCCCCCCCCCC)O
InChI
InChI=1S/C38H77NO3/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32-34-38(42)39-36(35-40)37(41)33-31-29-27-25-23-21-16-14-12-10-8-6-4-2/h36-37,40-41H,3-35H2,1-2H3,(H,39,42)/t36-,37+/m0/s1
InChIKey
ZWAUSWHRQBSECP-PQQNNWGCSA-N
Compound name
N-[(2S,3R)-1,3-dihydroxyoctadecan-2-yl]icosanamide
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

75
Patents

595.59033 Da
Monoisotopic Mass

15.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 596.59761 269.2
[M+Na]+ 618.57955 273.6
[M-H]- 594.58305 253.9
[M+NH4]+ 613.62415 265.9
[M+K]+ 634.55349 275.7
[M+H-H2O]+ 578.58759 266.3
[M+HCOO]- 640.58853 265.3
[M+CH3COO]- 654.60418 267.2
[M+Na-2H]- 616.56500 250.4
[M]+ 595.58978 264.6
[M]- 595.59088 264.6
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

patents stripe