CID 171119546

Cer(t18:0/36:0(36oh))

Structural Information

Molecular Formula
C54H109NO5
SMILES
CCCCCCCCCCCCCC[C@H]([C@H]([C@H](CO)NC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCO)O)O
InChI
InChI=1S/C54H109NO5/c1-2-3-4-5-6-7-8-32-35-38-41-44-47-52(58)54(60)51(50-57)55-53(59)48-45-42-39-36-33-30-28-26-24-22-20-18-16-14-12-10-9-11-13-15-17-19-21-23-25-27-29-31-34-37-40-43-46-49-56/h51-52,54,56-58,60H,2-50H2,1H3,(H,55,59)/t51-,52+,54-/m0/s1
InChIKey
JFBLQDYBHCLQIB-JVDXJGRDSA-N
Compound name
36-hydroxy-N-[(2S,3S,4R)-1,3,4-trihydroxyoctadecan-2-yl]hexatriacontanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

851.83057 Da
Monoisotopic Mass

21.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 852.83785 318.8
[M+Na]+ 874.81979 318.0
[M-H]- 850.82329 299.5
[M+NH4]+ 869.86439 313.9
[M+K]+ 890.79373 327.2
[M+H-H2O]+ 834.82783 312.9
[M+HCOO]- 896.82877 303.2
[M+CH3COO]- 910.84442 308.5
[M+Na-2H]- 872.80524 292.5
[M]+ 851.83002 313.0
[M]- 851.83112 313.0
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.