CID 52926073

Ps(16:0/22:0)

Structural Information

Molecular Formula
C44H86NO10P
SMILES
CCCCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)COP(=O)(O)OC[C@@H](C(=O)O)N
InChI
InChI=1S/C44H86NO10P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-36-43(47)55-40(38-53-56(50,51)54-39-41(45)44(48)49)37-52-42(46)35-33-31-29-27-25-23-16-14-12-10-8-6-4-2/h40-41H,3-39,45H2,1-2H3,(H,48,49)(H,50,51)/t40-,41+/m1/s1
InChIKey
UJFCDWBOVQFLEV-ZFESHMOZSA-N
Compound name
(2S)-2-amino-3-[[(2R)-2-docosanoyloxy-3-hexadecanoyloxypropoxy]-hydroxyphosphoryl]oxypropanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

819.59894 Da
Monoisotopic Mass

13.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 820.60622 295.1
[M+Na]+ 842.58816 297.2
[M+NH4]+ 837.63276 301.7
[M+K]+ 858.56210 299.3
[M-H]- 818.59166 287.3
[M+Na-2H]- 840.57361 293.9
[M]+ 819.59839 294.5
[M]- 819.59949 294.5
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

No patent data available for this compound.