CID 86290082

N-(2-hydroxyhexanoyl)sphingosine

Structural Information

Molecular Formula
C24H47NO4
SMILES
CCCCCCCCCCCCC/C=C/[C@H]([C@H](CO)NC(=O)C(CCCC)O)O
InChI
InChI=1S/C24H47NO4/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-19-22(27)21(20-26)25-24(29)23(28)18-6-4-2/h17,19,21-23,26-28H,3-16,18,20H2,1-2H3,(H,25,29)/b19-17+/t21-,22+,23?/m0/s1
InChIKey
FEGZDPQHPXJRTR-HFYDYZBHSA-N
Compound name
N-[(E,2S,3R)-1,3-dihydroxyoctadec-4-en-2-yl]-2-hydroxyhexanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

413.3505 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 414.35778 212.1
[M+Na]+ 436.33972 225.0
[M+NH4]+ 431.38432 221.0
[M+K]+ 452.31366 220.9
[M-H]- 412.34322 213.4
[M+Na-2H]- 434.32517 206.9
[M]+ 413.34995 218.5
[M]- 413.35105 218.5
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.