CID 131770122

Pc(monome(11,5)/monome(11,5))

Structural Information

Molecular Formula
C50H89NO10P
SMILES
CCCCCC1=CC(=C(O1)CCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCC2=C(C=C(O2)CCCCC)C)C
InChI
InChI=1S/C50H88NO10P/c1-8-10-24-30-44-38-42(3)47(59-44)32-26-20-16-12-14-18-22-28-34-49(52)56-40-46(41-58-62(54,55)57-37-36-51(5,6)7)61-50(53)35-29-23-19-15-13-17-21-27-33-48-43(4)39-45(60-48)31-25-11-9-2/h38-39,46H,8-37,40-41H2,1-7H3/p+1
InChIKey
MWWHAYNURFDNFT-UHFFFAOYSA-O
Compound name
2-[2,3-bis[11-(3-methyl-5-pentylfuran-2-yl)undecanoyloxy]propoxy-hydroxyphosphoryl]oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

894.62244 Da
Monoisotopic Mass

14.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 895.62972 301.3
[M+Na]+ 917.61166 303.6
[M+NH4]+ 912.65626 274.2
[M+K]+ 933.58560 307.4
[M-H]- 893.61516 259.3
[M+Na-2H]- 915.59711 289.7
[M]+ 894.62189 301.8
[M]- 894.62299 301.8
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

No patent data available for this compound.