CID 57339214

C20 phytosphingosine 1-phosphate(1-)

Structural Information

Molecular Formula
C20H44NO6P
SMILES
CCCCCCCCCCCCCCCC[C@H]([C@H]([C@H](COP(=O)(O)O)N)O)O
InChI
InChI=1S/C20H44NO6P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19(22)20(23)18(21)17-27-28(24,25)26/h18-20,22-23H,2-17,21H2,1H3,(H2,24,25,26)/t18-,19+,20-/m0/s1
InChIKey
PNIYMXIOPMSWEU-ZCNNSNEGSA-N
Compound name
[(2S,3S,4R)-2-amino-3,4-dihydroxyicosyl] dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

425.29062 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 426.29790 205.8
[M+Na]+ 448.27984 208.2
[M-H]- 424.28334 199.2
[M+NH4]+ 443.32444 201.3
[M+K]+ 464.25378 203.3
[M+H-H2O]+ 408.28788 194.0
[M+HCOO]- 470.28882 206.1
[M+CH3COO]- 484.30447 224.8
[M+Na-2H]- 446.26529 190.2
[M]+ 425.29007 197.8
[M]- 425.29117 197.8
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

No patent data available for this compound.