CID 52926075

Ps(16:0/19:0)

Structural Information

Molecular Formula
C41H80NO10P
SMILES
CCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)COP(=O)(O)OC[C@@H](C(=O)O)N
InChI
InChI=1S/C41H80NO10P/c1-3-5-7-9-11-13-15-17-18-19-21-23-25-27-29-31-33-40(44)52-37(35-50-53(47,48)51-36-38(42)41(45)46)34-49-39(43)32-30-28-26-24-22-20-16-14-12-10-8-6-4-2/h37-38H,3-36,42H2,1-2H3,(H,45,46)(H,47,48)/t37-,38+/m1/s1
InChIKey
HKWOEGDFAHOQQO-AMAPPZPBSA-N
Compound name
(2S)-2-amino-3-[[(2R)-3-hexadecanoyloxy-2-nonadecanoyloxypropoxy]-hydroxyphosphoryl]oxypropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

777.552 Da
Monoisotopic Mass

11.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 778.55928 285.8
[M+Na]+ 800.54122 287.2
[M-H]- 776.54472 279.7
[M+NH4]+ 795.58582 292.4
[M+K]+ 816.51516 290.2
[M+H-H2O]+ 760.54926 275.7
[M+HCOO]- 822.55020 278.3
[M+CH3COO]- 836.56585 292.6
[M+Na-2H]- 798.52667 263.7
[M]+ 777.55145 283.2
[M]- 777.55255 283.2
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.