CID 15515617

Chembl479695

Structural Information

Molecular Formula
C27H55NO7P
SMILES
CCCCCCC1CC1CCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCC[N+](C)(C)C)O
InChI
InChI=1S/C27H54NO7P/c1-5-6-7-13-16-24-21-25(24)17-14-11-9-8-10-12-15-18-27(30)33-22-26(29)23-35-36(31,32)34-20-19-28(2,3)4/h24-26,29H,5-23H2,1-4H3/p+1/t24?,25?,26-/m1/s1
InChIKey
JMNXFZCXVGEDAC-NRUKRLKBSA-O
Compound name
2-[[(2R)-3-[10-(2-hexylcyclopropyl)decanoyloxy]-2-hydroxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

536.37164 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 537.37892 234.6
[M+Na]+ 559.36086 239.5
[M-H]- 535.36436 230.1
[M+NH4]+ 554.40546 238.8
[M+K]+ 575.33480 234.9
[M+H-H2O]+ 519.36890 221.5
[M+HCOO]- 581.36984 248.3
[M+CH3COO]- 595.38549 245.0
[M+Na-2H]- 557.34631 220.3
[M]+ 536.37109 237.7
[M]- 536.37219 237.7
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.