CID 171119503

Cer(d18:1(6oh)/36:0(36oh))

Structural Information

Molecular Formula
C54H107NO5
SMILES
CCCCCCCCCCCC[C@H](/C=C/[C@H]([C@H](CO)NC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCO)O)O
InChI
InChI=1S/C54H107NO5/c1-2-3-4-5-6-7-33-36-39-42-45-51(58)47-48-53(59)52(50-57)55-54(60)46-43-40-37-34-31-29-27-25-23-21-19-17-15-13-11-9-8-10-12-14-16-18-20-22-24-26-28-30-32-35-38-41-44-49-56/h47-48,51-53,56-59H,2-46,49-50H2,1H3,(H,55,60)/b48-47+/t51-,52+,53-/m1/s1
InChIKey
SZBNPEVXSVECIT-CJTOORNVSA-N
Compound name
36-hydroxy-N-[(E,2S,3R,6R)-1,3,6-trihydroxyoctadec-4-en-2-yl]hexatriacontanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

849.81494 Da
Monoisotopic Mass

20.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 850.82222 315.8
[M+Na]+ 872.80416 315.6
[M-H]- 848.80766 297.3
[M+NH4]+ 867.84876 311.2
[M+K]+ 888.77810 324.4
[M+H-H2O]+ 832.81220 310.0
[M+HCOO]- 894.81314 301.1
[M+CH3COO]- 908.82879 307.5
[M+Na-2H]- 870.78961 290.1
[M]+ 849.81439 309.8
[M]- 849.81549 309.8
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.