CID 86290016

N-hexanoylsphingosine 1-phosphate(2-)

Structural Information

Molecular Formula
C24H48NO6P
SMILES
CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)NC(=O)CCCCC)O
InChI
InChI=1S/C24H48NO6P/c1-3-5-7-8-9-10-11-12-13-14-15-16-18-19-23(26)22(21-31-32(28,29)30)25-24(27)20-17-6-4-2/h18-19,22-23,26H,3-17,20-21H2,1-2H3,(H,25,27)(H2,28,29,30)/b19-18+/t22-,23+/m0/s1
InChIKey
UHXNGRCUFWVQPN-QFWQFVLDSA-N
Compound name
[(E,2S,3R)-2-(hexanoylamino)-3-hydroxyoctadec-4-enyl] dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

477.32193 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 478.32921 222.2
[M+Na]+ 500.31115 227.2
[M+NH4]+ 495.35575 225.4
[M+K]+ 516.28509 223.5
[M-H]- 476.31465 216.3
[M+Na-2H]- 498.29660 226.3
[M]+ 477.32138 221.2
[M]- 477.32248 221.2
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.