CID 170583360

N-[(2s,3r)-1,3-dihydroxyoctadecan-2-yl]-28-hydroxyoctacosanamide

Structural Information

Molecular Formula
C46H93NO4
SMILES
CCCCCCCCCCCCCCC[C@H]([C@H](CO)NC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCCO)O
InChI
InChI=1S/C46H93NO4/c1-2-3-4-5-6-7-8-22-25-28-31-34-37-40-45(50)44(43-49)47-46(51)41-38-35-32-29-26-23-20-18-16-14-12-10-9-11-13-15-17-19-21-24-27-30-33-36-39-42-48/h44-45,48-50H,2-43H2,1H3,(H,47,51)/t44-,45+/m0/s1
InChIKey
ZQEYKUQTHJFTJZ-YWPUXERESA-N
Compound name
N-[(2S,3R)-1,3-dihydroxyoctadecan-2-yl]-28-hydroxyoctacosanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

723.71045 Da
Monoisotopic Mass

18.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 724.71773 295.6
[M+Na]+ 746.69967 297.2
[M-H]- 722.70317 277.5
[M+NH4]+ 741.74427 290.6
[M+K]+ 762.67361 302.5
[M+H-H2O]+ 706.70771 290.8
[M+HCOO]- 768.70865 287.0
[M+CH3COO]- 782.72430 288.1
[M+Na-2H]- 744.68512 272.5
[M]+ 723.70990 289.9
[M]- 723.71100 289.9
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.