CID 134812362

Pob-pe

Structural Information

Molecular Formula
C25H48NO9P
SMILES
CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCC=O
InChI
InChI=1S/C25H48NO9P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-24(28)32-21-23(35-25(29)17-15-19-27)22-34-36(30,31)33-20-18-26/h19,23H,2-18,20-22,26H2,1H3,(H,30,31)/t23-/m1/s1
InChIKey
QYVWBNOJLAKOKN-HSZRJFAPSA-N
Compound name
[(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-(4-oxobutanoyloxy)propyl] hexadecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

537.30664 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 538.31392 231.2
[M+Na]+ 560.29586 236.0
[M-H]- 536.29936 228.2
[M+NH4]+ 555.34046 236.6
[M+K]+ 576.26980 231.3
[M+H-H2O]+ 520.30390 222.8
[M+HCOO]- 582.30484 236.9
[M+CH3COO]- 596.32049 248.3
[M+Na-2H]- 558.28131 215.6
[M]+ 537.30609 227.5
[M]- 537.30719 227.5
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.