CID 21777232

2-[[(2r)-3-(2,12-dimethyltridecanoyloxy)-2-hydroxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium

Structural Information

Molecular Formula
C23H49NO7P
SMILES
CC(C)CCCCCCCCCC(C)C(=O)OC[C@H](COP(=O)(O)OCC[N+](C)(C)C)O
InChI
InChI=1S/C23H48NO7P/c1-20(2)14-12-10-8-7-9-11-13-15-21(3)23(26)29-18-22(25)19-31-32(27,28)30-17-16-24(4,5)6/h20-22,25H,7-19H2,1-6H3/p+1/t21?,22-/m1/s1
InChIKey
SKOJWJADWCAPSY-FOIFJWKZSA-O
Compound name
2-[[(2R)-3-(2,12-dimethyltridecanoyloxy)-2-hydroxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

482.32468 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 483.33196 220.6
[M+Na]+ 505.31390 224.8
[M-H]- 481.31740 220.3
[M+NH4]+ 500.35850 227.3
[M+K]+ 521.28784 221.2
[M+H-H2O]+ 465.32194 207.1
[M+HCOO]- 527.32288 227.9
[M+CH3COO]- 541.33853 234.6
[M+Na-2H]- 503.29935 207.0
[M]+ 482.32413 217.7
[M]- 482.32523 217.7
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.