CID 52925972

Ps(20:0/20:0)

Structural Information

Molecular Formula
C46H90NO10P
SMILES
CCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](C(=O)O)N)OC(=O)CCCCCCCCCCCCCCCCCCC
InChI
InChI=1S/C46H90NO10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-44(48)54-39-42(40-55-58(52,53)56-41-43(47)46(50)51)57-45(49)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h42-43H,3-41,47H2,1-2H3,(H,50,51)(H,52,53)/t42-,43+/m1/s1
InChIKey
LWULKYWSUOIQRQ-QAZBPYKKSA-N
Compound name
(2S)-2-amino-3-[[(2R)-2,3-di(icosanoyloxy)propoxy]-hydroxyphosphoryl]oxypropanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

847.63025 Da
Monoisotopic Mass

14.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 848.63753 301.4
[M+Na]+ 870.61947 303.3
[M+NH4]+ 865.66407 308.0
[M+K]+ 886.59341 305.9
[M-H]- 846.62297 293.0
[M+Na-2H]- 868.60492 299.6
[M]+ 847.62970 300.7
[M]- 847.63080 300.7
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.