CID 10251295

N-hexanoylphytosphingosine

Structural Information

Molecular Formula
C24H49NO4
SMILES
CCCCCCCCCCCCCC[C@H]([C@H]([C@H](CO)NC(=O)CCCCC)O)O
InChI
InChI=1S/C24H49NO4/c1-3-5-7-8-9-10-11-12-13-14-15-17-18-22(27)24(29)21(20-26)25-23(28)19-16-6-4-2/h21-22,24,26-27,29H,3-20H2,1-2H3,(H,25,28)/t21-,22+,24-/m0/s1
InChIKey
DAAZGMWCIAIMCL-ZDXQCDESSA-N
Compound name
N-[(2S,3S,4R)-1,3,4-trihydroxyoctadecan-2-yl]hexanamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

130
Patents

415.36615 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 416.37343 216.6
[M+Na]+ 438.35537 213.3
[M-H]- 414.35887 212.7
[M+NH4]+ 433.39997 218.1
[M+K]+ 454.32931 209.5
[M+H-H2O]+ 398.36341 208.7
[M+HCOO]- 460.36435 218.5
[M+CH3COO]- 474.38000 227.9
[M+Na-2H]- 436.34082 208.0
[M]+ 415.36560 220.3
[M]- 415.36670 220.3
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