CID 11262782

N-(30-hydroxytriacontanoyl)-(6r)-6-hydroxysphingosine

Structural Information

Molecular Formula
C48H95NO5
SMILES
CCCCCCCCCCCC[C@H](/C=C/[C@H]([C@H](CO)NC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCCCCO)O)O
InChI
InChI=1S/C48H95NO5/c1-2-3-4-5-6-7-27-30-33-36-39-45(52)41-42-47(53)46(44-51)49-48(54)40-37-34-31-28-25-23-21-19-17-15-13-11-9-8-10-12-14-16-18-20-22-24-26-29-32-35-38-43-50/h41-42,45-47,50-53H,2-40,43-44H2,1H3,(H,49,54)/b42-41+/t45-,46+,47-/m1/s1
InChIKey
QLQOFLVTEGHRHA-VLZBYBDGSA-N
Compound name
30-hydroxy-N-[(E,2S,3R,6R)-1,3,6-trihydroxyoctadec-4-en-2-yl]triacontanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

765.721 Da
Monoisotopic Mass

17.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 766.72828 298.2
[M+Na]+ 788.71022 299.0
[M-H]- 764.71372 282.0
[M+NH4]+ 783.75482 293.6
[M+K]+ 804.68416 305.3
[M+H-H2O]+ 748.71826 292.9
[M+HCOO]- 810.71920 285.7
[M+CH3COO]- 824.73485 292.3
[M+Na-2H]- 786.69567 274.7
[M]+ 765.72045 291.7
[M]- 765.72155 291.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.