CID 10972946

Tetraacetylphytosphingosine

Structural Information

Molecular Formula
C26H47NO7
SMILES
CCCCCCCCCCCCCC[C@H]([C@H]([C@H](COC(=O)C)NC(=O)C)OC(=O)C)OC(=O)C
InChI
InChI=1S/C26H47NO7/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-25(33-22(4)30)26(34-23(5)31)24(27-20(2)28)19-32-21(3)29/h24-26H,6-19H2,1-5H3,(H,27,28)/t24-,25+,26-/m0/s1
InChIKey
SGTYQWGEVAMVKB-NXCFDTQHSA-N
Compound name
[(2S,3S,4R)-2-acetamido-3,4-diacetyloxyoctadecyl] acetate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

453
Patents

485.33527 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 486.34255 234.1
[M+Na]+ 508.32449 237.8
[M+NH4]+ 503.36909 240.7
[M+K]+ 524.29843 236.1
[M-H]- 484.32799 232.0
[M+Na-2H]- 506.30994 238.8
[M]+ 485.33472 234.6
[M]- 485.33582 234.6
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