CID 162937682

(2r)-n-[(z,2s,3s,4r)-3,4-dihydroxy-1-[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctadec-8-en-2-yl]-2-hydroxyhexacosanamide

Structural Information

Molecular Formula
C50H97NO10
SMILES
CCCCCCCCCCCCCCCCCCCCCCCC[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]([C@@H](CCC/C=C\CCCCCCCCC)O)O)O
InChI
InChI=1S/C50H97NO10/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-28-30-32-34-36-38-43(54)49(59)51-41(40-60-50-48(58)47(57)46(56)44(39-52)61-50)45(55)42(53)37-35-33-31-29-27-16-14-12-10-8-6-4-2/h29,31,41-48,50,52-58H,3-28,30,32-40H2,1-2H3,(H,51,59)/b31-29-/t41-,42+,43+,44+,45-,46+,47-,48+,50+/m0/s1
InChIKey
NVFBAYARDFKRAO-DGBYAWLZSA-N
Compound name
(2R)-N-[(Z,2S,3S,4R)-3,4-dihydroxy-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctadec-8-en-2-yl]-2-hydroxyhexacosanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

871.71124 Da
Monoisotopic Mass

14.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 872.71852 307.4
[M+Na]+ 894.70046 305.5
[M-H]- 870.70396 297.9
[M+NH4]+ 889.74506 303.1
[M+K]+ 910.67440 311.7
[M+H-H2O]+ 854.70850 302.8
[M+HCOO]- 916.70944 296.8
[M+CH3COO]- 930.72509 305.6
[M+Na-2H]- 892.68591 281.6
[M]+ 871.71069 300.7
[M]- 871.71179 300.7
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.