CID 52926171

Ps(o-16:0/16:0)

Structural Information

Molecular Formula
C38H76NO9P
SMILES
CCCCCCCCCCCCCCCCOC[C@H](COP(=O)(O)OC[C@@H](C(=O)O)N)OC(=O)CCCCCCCCCCCCCCC
InChI
InChI=1S/C38H76NO9P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-45-32-35(33-46-49(43,44)47-34-36(39)38(41)42)48-37(40)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h35-36H,3-34,39H2,1-2H3,(H,41,42)(H,43,44)/t35-,36+/m1/s1
InChIKey
KFFLJSDTDQAJPD-XDSPJLLDSA-N
Compound name
(2S)-2-amino-3-[[(2R)-2-hexadecanoyloxy-3-hexadecoxypropoxy]-hydroxyphosphoryl]oxypropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

721.52576 Da
Monoisotopic Mass

10.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 722.53304 274.9
[M+Na]+ 744.51498 276.3
[M-H]- 720.51848 267.1
[M+NH4]+ 739.55958 279.0
[M+K]+ 760.48892 278.1
[M+H-H2O]+ 704.52302 264.4
[M+HCOO]- 766.52396 270.4
[M+CH3COO]- 780.53961 283.7
[M+Na-2H]- 742.50043 253.4
[M]+ 721.52521 271.1
[M]- 721.52631 271.1
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.