CID 129628086

Hydroxycaproyl phytosphingosine

Structural Information

Molecular Formula
C24H49NO5
SMILES
CCCCCCCCCCCCCC[C@H]([C@H]([C@H](C(C(=O)CCCCCO)O)N)O)O
InChI
InChI=1S/C24H49NO5/c1-2-3-4-5-6-7-8-9-10-11-12-14-17-20(27)23(29)22(25)24(30)21(28)18-15-13-16-19-26/h20,22-24,26-27,29-30H,2-19,25H2,1H3/t20-,22-,23-,24?/m1/s1
InChIKey
STTOGXZHRAFPCI-WEROFJHNSA-N
Compound name
(8R,9S,10R)-8-amino-1,7,9,10-tetrahydroxytetracosan-6-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

51
Patents

431.36108 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 432.36836 218.9
[M+Na]+ 454.35030 220.9
[M-H]- 430.35380 209.2
[M+NH4]+ 449.39490 212.4
[M+K]+ 470.32424 211.3
[M+H-H2O]+ 414.35834 211.1
[M+HCOO]- 476.35928 209.1
[M+CH3COO]- 490.37493 228.7
[M+Na-2H]- 452.33575 207.7
[M]+ 431.36053 209.4
[M]- 431.36163 209.4
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