CID 124202095

Sphingosine 1-phosphate (d19:1-p)

Structural Information

Molecular Formula
C19H42NO5P
SMILES
CCCCCCCCCCCCCCCC[C@H]([C@H](COP(=O)(O)O)N)O
InChI
InChI=1S/C19H42NO5P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19(21)18(20)17-25-26(22,23)24/h18-19,21H,2-17,20H2,1H3,(H2,22,23,24)/t18-,19+/m0/s1
InChIKey
WVBBZEILYLXGFN-RBUKOAKNSA-N
Compound name
[(2S,3R)-2-amino-3-hydroxynonadecyl] dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

395.28006 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 396.28734 209.2
[M+Na]+ 418.26928 205.3
[M-H]- 394.27278 193.8
[M+NH4]+ 413.31388 197.2
[M+K]+ 434.24322 204.9
[M+H-H2O]+ 378.27732 199.8
[M+HCOO]- 440.27826 206.4
[M+CH3COO]- 454.29391 221.2
[M+Na-2H]- 416.25473 202.3
[M]+ 395.27951 194.7
[M]- 395.28061 194.7
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