CID 108157

Paf c-16-d4

Structural Information

Molecular Formula
C26H55NO7P
SMILES
CCCCCCCCCCCCCCCCOC[C@H](COP(=O)(O)OCC[N+](C)(C)C)OC(=O)C
InChI
InChI=1S/C26H54NO7P/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-31-23-26(34-25(2)28)24-33-35(29,30)32-22-20-27(3,4)5/h26H,6-24H2,1-5H3/p+1/t26-/m1/s1
InChIKey
HVAUUPRFYPCOCA-AREMUKBSSA-O
Compound name
2-[[(2R)-2-acetyloxy-3-hexadecoxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

9219
References

21682
Patents

524.37164 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 525.37892 235.3
[M+Na]+ 547.36086 239.0
[M-H]- 523.36436 231.3
[M+NH4]+ 542.40546 241.0
[M+K]+ 563.33480 235.4
[M+H-H2O]+ 507.36890 221.4
[M+HCOO]- 569.36984 247.8
[M+CH3COO]- 583.38549 244.4
[M+Na-2H]- 545.34631 219.6
[M]+ 524.37109 233.1
[M]- 524.37219 233.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe