CID 5313983

50930-23-9

Structural Information

Molecular Formula
C25H53NO7P
SMILES
CCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCC[N+](C)(C)C)O
InChI
InChI=1S/C25H52NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-25(28)31-22-24(27)23-33-34(29,30)32-21-20-26(2,3)4/h24,27H,5-23H2,1-4H3/p+1/t24-/m1/s1
InChIKey
SRRQPVVYXBTRQK-XMMPIXPASA-O
Compound name
2-[[(2R)-3-heptadecanoyloxy-2-hydroxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

1
References

370
Patents

510.35596 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 511.36324 231.3
[M+Na]+ 533.34518 235.8
[M+NH4]+ 528.38978 204.4
[M+K]+ 549.31912 241.8
[M-H]- 509.34868 226.1
[M+Na-2H]- 531.33063 224.0
[M]+ 510.35541 232.2
[M]- 510.35651 232.2
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.