CID 10676997

(2r)-2-hydroxy-n-[(2s,3r)-3-hydroxy-1-[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyicosan-2-yl]tricosanamide

Structural Information

Molecular Formula
C49H97NO9
SMILES
CCCCCCCCCCCCCCCCCCCCC[C@H](C(=O)N[C@@H](CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)[C@@H](CCCCCCCCCCCCCCCCC)O)O
InChI
InChI=1S/C49H97NO9/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-43(53)48(57)50-41(40-58-49-47(56)46(55)45(54)44(39-51)59-49)42(52)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h41-47,49,51-56H,3-40H2,1-2H3,(H,50,57)/t41-,42+,43+,44+,45+,46-,47+,49+/m0/s1
InChIKey
GCXIXAHRVCWMFY-FJRUVYPZSA-N
Compound name
(2R)-2-hydroxy-N-[(2S,3R)-3-hydroxy-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyicosan-2-yl]tricosanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

843.7163 Da
Monoisotopic Mass

15.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 844.72358 307.7
[M+Na]+ 866.70552 306.4
[M-H]- 842.70902 296.2
[M+NH4]+ 861.75012 303.1
[M+K]+ 882.67946 312.1
[M+H-H2O]+ 826.71356 303.5
[M+HCOO]- 888.71450 300.7
[M+CH3COO]- 902.73015 303.1
[M+Na-2H]- 864.69097 281.9
[M]+ 843.71575 301.3
[M]- 843.71685 301.3
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.