CID 11434029

Ceramide pc-108

Structural Information

Molecular Formula
C43H86N2O5
SMILES
CCCCCCCCCCCCCCCCCC(=O)N(CCO)CC(CN(CCO)C(=O)CCCCCCCCCCCCCCCCC)O
InChI
InChI=1S/C43H86N2O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-42(49)44(35-37-46)39-41(48)40-45(36-38-47)43(50)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h41,46-48H,3-40H2,1-2H3
InChIKey
OHYYUFUZVNFGRN-UHFFFAOYSA-N
Compound name
N-(2-hydroxyethyl)-N-[2-hydroxy-3-[2-hydroxyethyl(octadecanoyl)amino]propyl]octadecanamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

30
Patents

710.6537 Da
Monoisotopic Mass

14.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 711.66098 294.6
[M+Na]+ 733.64292 299.2
[M+NH4]+ 728.68752 297.9
[M+K]+ 749.61686 298.8
[M-H]- 709.64642 284.7
[M+Na-2H]- 731.62837 292.8
[M]+ 710.65315 293.2
[M]- 710.65425 293.2
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

patents stripe