CID 134812361

Pov-pe

Structural Information

Molecular Formula
C26H50NO9P
SMILES
CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCC=O
InChI
InChI=1S/C26H50NO9P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-25(29)33-22-24(36-26(30)18-15-16-20-28)23-35-37(31,32)34-21-19-27/h20,24H,2-19,21-23,27H2,1H3,(H,31,32)/t24-/m1/s1
InChIKey
NMWPZVLQFDIILH-XMMPIXPASA-N
Compound name
[(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-(5-oxopentanoyloxy)propyl] hexadecanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

551.3223 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 552.32958 234.7
[M+Na]+ 574.31152 239.4
[M-H]- 550.31502 231.4
[M+NH4]+ 569.35612 240.1
[M+K]+ 590.28546 235.1
[M+H-H2O]+ 534.31956 226.3
[M+HCOO]- 596.32050 240.0
[M+CH3COO]- 610.33615 251.1
[M+Na-2H]- 572.29697 218.7
[M]+ 551.32175 231.0
[M]- 551.32285 231.0
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.