CID 52931115

Cer(d18:1/23:0)

Structural Information

Molecular Formula
C41H81NO3
SMILES
CCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@@H](/C=C/CCCCCCCCCCCCC)O
InChI
InChI=1S/C41H81NO3/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-25-27-29-31-33-35-37-41(45)42-39(38-43)40(44)36-34-32-30-28-26-24-16-14-12-10-8-6-4-2/h34,36,39-40,43-44H,3-33,35,37-38H2,1-2H3,(H,42,45)/b36-34+/t39-,40+/m0/s1
InChIKey
NAJHAHQNQCNWOP-PUYNVXOJSA-N
Compound name
N-[(E,2S,3R)-1,3-dihydroxyoctadec-4-en-2-yl]tricosanamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

56
Patents

635.62164 Da
Monoisotopic Mass

16.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 636.62892 275.5
[M+Na]+ 658.61086 278.7
[M+NH4]+ 653.65546 274.9
[M+K]+ 674.58480 277.6
[M-H]- 634.61436 260.8
[M+Na-2H]- 656.59631 273.2
[M]+ 635.62109 271.8
[M]- 635.62219 271.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe