CID 53481049

Cer(d18:0/23:0)

Structural Information

Molecular Formula
C41H83NO3
SMILES
CCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@@H](CCCCCCCCCCCCCCC)O
InChI
InChI=1S/C41H83NO3/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/h39-40,43-44H,3-38H2,1-2H3,(H,42,45)/t39-,40+/m0/s1
InChIKey
FTSDYFFYZJTACJ-IOLBBIBUSA-N
Compound name
N-[(2S,3R)-1,3-dihydroxyoctadecan-2-yl]tricosanamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

10
Patents

637.63727 Da
Monoisotopic Mass

17.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 638.64455 277.8
[M+Na]+ 660.62649 280.6
[M+NH4]+ 655.67109 277.2
[M+K]+ 676.60043 279.5
[M-H]- 636.62999 262.4
[M+Na-2H]- 658.61194 275.0
[M]+ 637.63672 273.9
[M]- 637.63782 273.9
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