CID 170583283

N-[(2s,3r)-1,3-dihydroxyoctadecan-2-yl]-32-hydroxydotriacontanamide

Structural Information

Molecular Formula
C50H101NO4
SMILES
CCCCCCCCCCCCCCC[C@H]([C@H](CO)NC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCO)O
InChI
InChI=1S/C50H101NO4/c1-2-3-4-5-6-7-8-26-29-32-35-38-41-44-49(54)48(47-53)51-50(55)45-42-39-36-33-30-27-24-22-20-18-16-14-12-10-9-11-13-15-17-19-21-23-25-28-31-34-37-40-43-46-52/h48-49,52-54H,2-47H2,1H3,(H,51,55)/t48-,49+/m0/s1
InChIKey
IAULUIPPSLWSKF-NXWRKTHKSA-N
Compound name
N-[(2S,3R)-1,3-dihydroxyoctadecan-2-yl]-32-hydroxydotriacontanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

779.7731 Da
Monoisotopic Mass

20.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 780.78038 307.8
[M+Na]+ 802.76232 308.7
[M-H]- 778.76582 288.2
[M+NH4]+ 797.80692 302.8
[M+K]+ 818.73626 315.7
[M+H-H2O]+ 762.77036 302.6
[M+HCOO]- 824.77130 297.7
[M+CH3COO]- 838.78695 298.5
[M+Na-2H]- 800.74777 283.2
[M]+ 779.77255 302.2
[M]- 779.77365 302.2
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.