CID 53481050

Cer(d18:0/25:0)

Structural Information

Molecular Formula
C43H87NO3
SMILES
CCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@@H](CCCCCCCCCCCCCCC)O
InChI
InChI=1S/C43H87NO3/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-27-29-31-33-35-37-39-43(47)44-41(40-45)42(46)38-36-34-32-30-28-26-16-14-12-10-8-6-4-2/h41-42,45-46H,3-40H2,1-2H3,(H,44,47)/t41-,42+/m0/s1
InChIKey
HCDLRJUFVJOBJP-ACEXITHZSA-N
Compound name
N-[(2S,3R)-1,3-dihydroxyoctadecan-2-yl]pentacosanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

665.6686 Da
Monoisotopic Mass

18.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 666.675876 285.5
[M+Na]+ 688.657818 289.0
[M-H]- 664.661324 268.3
[M+NH4]+ 683.702423 282.0
[M+K]+ 704.631758 293.2
[M+H-H2O]+ 648.665860 282.0
[M+HCOO]- 710.666801 279.6
[M+CH3COO]- 724.682451 280.8
[M+Na-2H]- 686.643266 264.6
[M]+ 665.66805142 280.8
[M]- 665.66914858 280.8
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