CID 131770132

Pc(monome(13,5)/monome(13,5))

Structural Information

Molecular Formula
C54H97NO10P
SMILES
CCCCCC1=CC(=C(O1)CCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCC2=C(C=C(O2)CCCCC)C)C
InChI
InChI=1S/C54H96NO10P/c1-8-10-28-34-48-42-46(3)51(63-48)36-30-24-20-16-12-14-18-22-26-32-38-53(56)60-44-50(45-62-66(58,59)61-41-40-55(5,6)7)65-54(57)39-33-27-23-19-15-13-17-21-25-31-37-52-47(4)43-49(64-52)35-29-11-9-2/h42-43,50H,8-41,44-45H2,1-7H3/p+1
InChIKey
HYMKRGXOUXAQPP-UHFFFAOYSA-O
Compound name
2-[2,3-bis[13-(3-methyl-5-pentylfuran-2-yl)tridecanoyloxy]propoxy-hydroxyphosphoryl]oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

950.685 Da
Monoisotopic Mass

16.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 951.69228 312.4
[M+Na]+ 973.67422 314.0
[M+NH4]+ 968.71882 285.8
[M+K]+ 989.64816 317.4
[M-H]- 949.67772 269.7
[M+Na-2H]- 971.65967 299.6
[M]+ 950.68445 312.5
[M]- 950.68555 312.5
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.