CID 131819805

Ps(20:0/24:0)

Structural Information

Molecular Formula
C50H98NO10P
SMILES
CCCCCCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCCCCC)COP(=O)(O)OC[C@@H](C(=O)O)N
InChI
InChI=1S/C50H98NO10P/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-28-30-32-34-36-38-40-42-49(53)61-46(44-59-62(56,57)60-45-47(51)50(54)55)43-58-48(52)41-39-37-35-33-31-29-27-25-20-18-16-14-12-10-8-6-4-2/h46-47H,3-45,51H2,1-2H3,(H,54,55)(H,56,57)/t46-,47+/m1/s1
InChIKey
MJPNXVVFBDWLDI-ZYIRWWKFSA-N
Compound name
(2S)-2-amino-3-[hydroxy-[(2R)-3-icosanoyloxy-2-tetracosanoyloxypropoxy]phosphoryl]oxypropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

903.6928 Da
Monoisotopic Mass

16.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 904.70008 313.8
[M+Na]+ 926.68202 315.4
[M+NH4]+ 921.72662 320.3
[M+K]+ 942.65596 318.7
[M-H]- 902.68552 304.1
[M+Na-2H]- 924.66747 310.8
[M]+ 903.69225 312.8
[M]- 903.69335 312.8
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.