CID 171119502

Cer(d18:1(6oh)/35:0(35oh))

Structural Information

Molecular Formula
C53H105NO5
SMILES
CCCCCCCCCCCC[C@H](/C=C/[C@H]([C@H](CO)NC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCO)O)O
InChI
InChI=1S/C53H105NO5/c1-2-3-4-5-6-7-32-35-38-41-44-50(57)46-47-52(58)51(49-56)54-53(59)45-42-39-36-33-30-28-26-24-22-20-18-16-14-12-10-8-9-11-13-15-17-19-21-23-25-27-29-31-34-37-40-43-48-55/h46-47,50-52,55-58H,2-45,48-49H2,1H3,(H,54,59)/b47-46+/t50-,51+,52-/m1/s1
InChIKey
PXZPPJNLTAWKET-RNBIWEMRSA-N
Compound name
35-hydroxy-N-[(E,2S,3R,6R)-1,3,6-trihydroxyoctadec-4-en-2-yl]pentatriacontanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

835.79926 Da
Monoisotopic Mass

20.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 836.80654 312.9
[M+Na]+ 858.78848 312.9
[M-H]- 834.79198 294.8
[M+NH4]+ 853.83308 308.3
[M+K]+ 874.76242 321.2
[M+H-H2O]+ 818.79652 307.2
[M+HCOO]- 880.79746 298.6
[M+CH3COO]- 894.81311 305.0
[M+Na-2H]- 856.77393 287.6
[M]+ 835.79871 306.8
[M]- 835.79981 306.8
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.