CID 6321369

C26:1dh glccer

Structural Information

Molecular Formula
C50H97NO8
SMILES
CCCCCCCCCCCCCCC[C@H]([C@H](CO[C@H]1C(C([C@@H]([C@H](O1)CO)O)O)O)NC(=O)CCCCCCCCCCCCCCC/C=C\CCCCCCCC)O
InChI
InChI=1S/C50H97NO8/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-28-30-32-34-36-38-40-46(54)51-43(42-58-50-49(57)48(56)47(55)45(41-52)59-50)44(53)39-37-35-33-31-29-27-16-14-12-10-8-6-4-2/h17-18,43-45,47-50,52-53,55-57H,3-16,19-42H2,1-2H3,(H,51,54)/b18-17-/t43-,44+,45+,47+,48?,49?,50+/m0/s1
InChIKey
BSRSUMIOOGETSD-IAIZXCBMSA-N
Compound name
(Z)-N-[(2S,3R)-3-hydroxy-1-[(2R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctadecan-2-yl]hexacos-17-enamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

3
Patents

839.72144 Da
Monoisotopic Mass

16.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 840.72872 308.0
[M+Na]+ 862.71066 308.3
[M-H]- 838.71416 295.5
[M+NH4]+ 857.75526 303.7
[M+K]+ 878.68460 313.4
[M+H-H2O]+ 822.71870 304.4
[M+HCOO]- 884.71964 305.8
[M+CH3COO]- 898.73529 304.1
[M+Na-2H]- 860.69611 282.8
[M]+ 839.72089 302.0
[M]- 839.72199 302.0
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.