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]+ 414.357776 215.3
[M+Na]+ 436.339718 212.4
[M-H]- 412.343224 210.8
[M+NH4]+ 431.384323 215.8
[M+K]+ 452.313658 208.0
[M+H-H2O]+ 396.347760 207.5
[M+HCOO]- 458.348701 216.8
[M+CH3COO]- 472.364351 226.5
[M+Na-2H]- 434.325166 206.8
[M]+ 413.34995142 218.3
[M]- 413.35104858 218.3
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

No patent data available for this compound.