CID 52926169

Ps(o-16:0/18:0)

Structural Information

Molecular Formula
C40H80NO9P
SMILES
CCCCCCCCCCCCCCCCCC(=O)O[C@H](COCCCCCCCCCCCCCCCC)COP(=O)(O)OC[C@@H](C(=O)O)N
InChI
InChI=1S/C40H80NO9P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-39(42)50-37(35-48-51(45,46)49-36-38(41)40(43)44)34-47-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h37-38H,3-36,41H2,1-2H3,(H,43,44)(H,45,46)/t37-,38+/m1/s1
InChIKey
RIYHSEZNQJTWAJ-AMAPPZPBSA-N
Compound name
(2S)-2-amino-3-[[(2R)-3-hexadecoxy-2-octadecanoyloxypropoxy]-hydroxyphosphoryl]oxypropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

749.55707 Da
Monoisotopic Mass

11.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 750.56435 281.4
[M+Na]+ 772.54629 282.4
[M-H]- 748.54979 272.8
[M+NH4]+ 767.59089 285.4
[M+K]+ 788.52023 285.1
[M+H-H2O]+ 732.55433 270.7
[M+HCOO]- 794.55527 276.1
[M+CH3COO]- 808.57092 288.9
[M+Na-2H]- 770.53174 259.0
[M]+ 749.55652 277.8
[M]- 749.55762 277.8
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.