CID 46891774

C20 sphinganine 1-phosphate(1-)

Structural Information

Molecular Formula
C20H44NO5P
SMILES
CCCCCCCCCCCCCCCCC[C@H]([C@H](COP(=O)(O)O)N)O
InChI
InChI=1S/C20H44NO5P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(22)19(21)18-26-27(23,24)25/h19-20,22H,2-18,21H2,1H3,(H2,23,24,25)/t19-,20+/m0/s1
InChIKey
WEYZCBKZGOIPIU-VQTJNVASSA-N
Compound name
[(2S,3R)-2-amino-3-hydroxyicosyl] dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

409.29572 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 410.30300 205.2
[M+Na]+ 432.28494 208.7
[M-H]- 408.28844 197.0
[M+NH4]+ 427.32954 200.7
[M+K]+ 448.25888 203.3
[M+H-H2O]+ 392.29298 204.0
[M+HCOO]- 454.29392 209.6
[M+CH3COO]- 468.30957 224.1
[M+Na-2H]- 430.27039 206.2
[M]+ 409.29517 198.3
[M]- 409.29627 198.3
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.