CID 134812363

Ps-pe

Structural Information

Molecular Formula
C25H48NO10P
SMILES
CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCC(=O)O
InChI
InChI=1S/C25H48NO10P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-24(29)33-20-22(36-25(30)17-16-23(27)28)21-35-37(31,32)34-19-18-26/h22H,2-21,26H2,1H3,(H,27,28)(H,31,32)/t22-/m1/s1
InChIKey
HXZAJHUMFYFUBO-JOCHJYFZSA-N
Compound name
4-[(2R)-1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-hexadecanoyloxypropan-2-yl]oxy-4-oxobutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

553.3016 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 554.30888 232.8
[M+Na]+ 576.29082 236.5
[M-H]- 552.29432 231.4
[M+NH4]+ 571.33542 238.2
[M+K]+ 592.26476 232.4
[M+H-H2O]+ 536.29886 223.9
[M+HCOO]- 598.29980 234.3
[M+CH3COO]- 612.31545 248.9
[M+Na-2H]- 574.27627 216.7
[M]+ 553.30105 228.5
[M]- 553.30215 228.5
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.