CID 165415603

Lpc(0:0/15:0)

Structural Information

Molecular Formula
C23H49NO7P
SMILES
CCCCCCCCCCCCCCC(=O)O[C@H](CO)COP(=O)(O)OCC[N+](C)(C)C
InChI
InChI=1S/C23H48NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-23(26)31-22(20-25)21-30-32(27,28)29-19-18-24(2,3)4/h22,25H,5-21H2,1-4H3/p+1/t22-/m1/s1
InChIKey
AGHWJZIEMKQLQP-JOCHJYFZSA-O
Compound name
2-[hydroxy-[(2R)-3-hydroxy-2-pentadecanoyloxypropoxy]phosphoryl]oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

482.32468 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 483.33196 222.7
[M+Na]+ 505.31390 226.0
[M-H]- 481.31740 219.5
[M+NH4]+ 500.35850 226.3
[M+K]+ 521.28784 221.2
[M+H-H2O]+ 465.32194 208.0
[M+HCOO]- 527.32288 234.8
[M+CH3COO]- 541.33853 233.3
[M+Na-2H]- 503.29935 207.7
[M]+ 482.32413 219.4
[M]- 482.32523 219.4
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.