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 197.7
[M+Na]+ 368.31350 196.0
[M-H]- 344.31700 190.5
[M+NH4]+ 363.35810 208.1
[M+K]+ 384.28744 192.3
[M+H-H2O]+ 328.32154 190.4
[M+HCOO]- 390.32248 210.4
[M+CH3COO]- 404.33813 214.2
[M+Na-2H]- 366.29895 191.1
[M]+ 345.32373 198.9
[M]- 345.32483 198.9
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