CID 52931110

C16-sphingosine-1-phosphate

Structural Information

Molecular Formula
C16H34NO5P
SMILES
CCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O
InChI
InChI=1S/C16H34NO5P/c1-2-3-4-5-6-7-8-9-10-11-12-13-16(18)15(17)14-22-23(19,20)21/h12-13,15-16,18H,2-11,14,17H2,1H3,(H2,19,20,21)/b13-12+/t15-,16+/m0/s1
InChIKey
IQHNJQKWEMCXAD-YYZTVXDQSA-N
Compound name
[(E,2S,3R)-2-amino-3-hydroxyhexadec-4-enyl] dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

13
Patents

351.21747 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.22475 194.4
[M+Na]+ 374.20669 194.9
[M-H]- 350.21019 186.9
[M+NH4]+ 369.25129 184.1
[M+K]+ 390.18063 191.9
[M+H-H2O]+ 334.21473 185.7
[M+HCOO]- 396.21567 194.9
[M+CH3COO]- 410.23132 210.8
[M+Na-2H]- 372.19214 189.0
[M]+ 351.21692 197.2
[M]- 351.21802 197.2
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