CID 145714790

C34-ceramide

Structural Information

Molecular Formula
C52H103NO3
SMILES
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@@H](/C=C/CCCCCCCCCCCCC)O
InChI
InChI=1S/C52H103NO3/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-36-38-40-42-44-46-48-52(56)53-50(49-54)51(55)47-45-43-41-39-37-35-16-14-12-10-8-6-4-2/h45,47,50-51,54-55H,3-44,46,48-49H2,1-2H3,(H,53,56)/b47-45+/t50-,51+/m0/s1
InChIKey
REIMMTXEDRZOAC-LBVNOBLISA-N
Compound name
N-[(E,2S,3R)-1,3-dihydroxyoctadec-4-en-2-yl]tetratriacontanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

789.7938 Da
Monoisotopic Mass

22.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 790.80108 310.4
[M+Na]+ 812.78302 313.1
[M-H]- 788.78652 290.7
[M+NH4]+ 807.82762 307.2
[M+K]+ 828.75696 320.5
[M+H-H2O]+ 772.79106 306.1
[M+HCOO]- 834.79200 302.2
[M+CH3COO]- 848.80765 303.4
[M+Na-2H]- 810.76847 286.7
[M]+ 789.79325 305.8
[M]- 789.79435 305.8
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.