CID 171119581

Cer(t18:1(6oh)/32:0)

Structural Information

Molecular Formula
C50H99NO4
SMILES
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@@H](/C=C/[C@@H](CCCCCCCCCCCC)O)O
InChI
InChI=1S/C50H99NO4/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-35-37-39-41-43-50(55)51-48(46-52)49(54)45-44-47(53)42-40-38-36-34-14-12-10-8-6-4-2/h44-45,47-49,52-54H,3-43,46H2,1-2H3,(H,51,55)/b45-44+/t47-,48+,49-/m1/s1
InChIKey
NFDWMWBNBTXMDA-WTRFWYBTSA-N
Compound name
N-[(E,2S,3R,6R)-1,3,6-trihydroxyoctadec-4-en-2-yl]dotriacontanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

777.7574 Da
Monoisotopic Mass

20.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 778.76468 303.5
[M+Na]+ 800.74662 305.6
[M-H]- 776.75012 286.3
[M+NH4]+ 795.79122 300.4
[M+K]+ 816.72056 312.6
[M+H-H2O]+ 760.75466 299.1
[M+HCOO]- 822.75560 292.0
[M+CH3COO]- 836.77125 298.1
[M+Na-2H]- 798.73207 280.3
[M]+ 777.75685 298.0
[M]- 777.75795 298.0
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.