CID 52925981

Ps(19:0/13:0)

Structural Information

Molecular Formula
C38H74NO10P
SMILES
CCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](C(=O)O)N)OC(=O)CCCCCCCCCCCC
InChI
InChI=1S/C38H74NO10P/c1-3-5-7-9-11-13-15-16-17-18-19-20-22-23-25-27-29-36(40)46-31-34(32-47-50(44,45)48-33-35(39)38(42)43)49-37(41)30-28-26-24-21-14-12-10-8-6-4-2/h34-35H,3-33,39H2,1-2H3,(H,42,43)(H,44,45)/t34-,35+/m1/s1
InChIKey
UJEJQTVMXMMALM-GPOMZPHUSA-N
Compound name
(2S)-2-amino-3-[hydroxy-[(2R)-3-nonadecanoyloxy-2-tridecanoyloxypropoxy]phosphoryl]oxypropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

735.505 Da
Monoisotopic Mass

9.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 736.51228 276.1
[M+Na]+ 758.49422 278.0
[M-H]- 734.49772 271.2
[M+NH4]+ 753.53882 282.8
[M+K]+ 774.46816 279.8
[M+H-H2O]+ 718.50226 266.4
[M+HCOO]- 780.50320 269.9
[M+CH3COO]- 794.51885 284.8
[M+Na-2H]- 756.47967 255.3
[M]+ 735.50445 273.2
[M]- 735.50555 273.2
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.