CID 11517895

N-octanoylphytosphingosine

Structural Information

Molecular Formula
C26H53NO4
SMILES
CCCCCCCCCCCCCC[C@H]([C@H]([C@H](CO)NC(=O)CCCCCCC)O)O
InChI
InChI=1S/C26H53NO4/c1-3-5-7-9-10-11-12-13-14-15-17-18-20-24(29)26(31)23(22-28)27-25(30)21-19-16-8-6-4-2/h23-24,26,28-29,31H,3-22H2,1-2H3,(H,27,30)/t23-,24+,26-/m0/s1
InChIKey
XQNJLWJVISBYSS-GSLIJJQTSA-N
Compound name
N-[(2S,3S,4R)-1,3,4-trihydroxyoctadecan-2-yl]octanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

47
Patents

443.39746 Da
Monoisotopic Mass

7.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 444.40474 221.3
[M+Na]+ 466.38668 234.0
[M+NH4]+ 461.43128 230.7
[M+K]+ 482.36062 230.3
[M-H]- 442.39018 221.6
[M+Na-2H]- 464.37213 215.8
[M]+ 443.39691 227.7
[M]- 443.39801 227.7
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

patents stripe