CID 6321365

C20dh glccer

Structural Information

Molecular Formula
C44H87NO8
SMILES
CCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@H]1C(C([C@@H]([C@H](O1)CO)O)O)O)[C@@H](CCCCCCCCCCCCCCC)O
InChI
InChI=1S/C44H87NO8/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32-34-40(48)45-37(36-52-44-43(51)42(50)41(49)39(35-46)53-44)38(47)33-31-29-27-25-23-21-16-14-12-10-8-6-4-2/h37-39,41-44,46-47,49-51H,3-36H2,1-2H3,(H,45,48)/t37-,38+,39+,41+,42?,43?,44+/m0/s1
InChIKey
JMHGBISEAGEKAI-FBMZPBPRSA-N
Compound name
N-[(2S,3R)-3-hydroxy-1-[(2R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctadecan-2-yl]icosanamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

8
Patents

757.6432 Da
Monoisotopic Mass

14.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 758.65048 292.5
[M+Na]+ 780.63242 293.2
[M-H]- 756.63592 281.4
[M+NH4]+ 775.67702 288.0
[M+K]+ 796.60636 296.3
[M+H-H2O]+ 740.64046 289.3
[M+HCOO]- 802.64140 291.7
[M+CH3COO]- 816.65705 289.5
[M+Na-2H]- 778.61787 268.9
[M]+ 757.64265 286.1
[M]- 757.64375 286.1
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.