CID 12302752

C20 phytosphingosine(1+)

Structural Information

Molecular Formula
C20H43NO3
SMILES
CCCCCCCCCCCCCCCC[C@H]([C@H]([C@H](CO)N)O)O
InChI
InChI=1S/C20H43NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19(23)20(24)18(21)17-22/h18-20,22-24H,2-17,21H2,1H3/t18-,19+,20-/m0/s1
InChIKey
UQAUXYMLKGFKBX-ZCNNSNEGSA-N
Compound name
(2S,3S,4R)-2-aminoicosane-1,3,4-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

55
Patents

345.32428 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.33156 194.2
[M+Na]+ 368.31350 197.1
[M+NH4]+ 363.35810 197.2
[M+K]+ 384.28744 192.4
[M-H]- 344.31700 190.3
[M+Na-2H]- 366.29895 190.5
[M]+ 345.32373 192.7
[M]- 345.32483 192.7
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