CID 52925339

Ps(17:0/16:0)

Structural Information

Molecular Formula
C39H76NO10P
SMILES
CCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](C(=O)O)N)OC(=O)CCCCCCCCCCCCCCC
InChI
InChI=1S/C39H76NO10P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-37(41)47-32-35(33-48-51(45,46)49-34-36(40)39(43)44)50-38(42)31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h35-36H,3-34,40H2,1-2H3,(H,43,44)(H,45,46)/t35-,36+/m1/s1
InChIKey
BALXXJCQFSWSQR-XDSPJLLDSA-N
Compound name
(2S)-2-amino-3-[[(2R)-3-heptadecanoyloxy-2-hexadecanoyloxypropoxy]-hydroxyphosphoryl]oxypropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

749.5207 Da
Monoisotopic Mass

10.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 750.52798 279.4
[M+Na]+ 772.50992 281.1
[M-H]- 748.51342 274.1
[M+NH4]+ 767.55452 286.0
[M+K]+ 788.48386 283.3
[M+H-H2O]+ 732.51796 269.5
[M+HCOO]- 794.51890 272.7
[M+CH3COO]- 808.53455 287.4
[M+Na-2H]- 770.49537 258.1
[M]+ 749.52015 276.5
[M]- 749.52125 276.5
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.