CID 131770207

Pe(monome(13,5)/dime(11,5))

Structural Information

Molecular Formula
C50H88NO10P
SMILES
CCCCCC1=CC(=C(O1)CCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCCCCCC2=C(C(=C(O2)CCCCC)C)C)C
InChI
InChI=1S/C50H88NO10P/c1-6-8-24-30-44-38-41(3)46(59-44)31-26-20-16-12-10-11-13-18-22-28-34-49(52)56-39-45(40-58-62(54,55)57-37-36-51)60-50(53)35-29-23-19-15-14-17-21-27-33-48-43(5)42(4)47(61-48)32-25-9-7-2/h38,45H,6-37,39-40,51H2,1-5H3,(H,54,55)/t45-/m1/s1
InChIKey
AMSMHLPHJZYXML-WBVITSLISA-N
Compound name
[(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-[11-(3,4-dimethyl-5-pentylfuran-2-yl)undecanoyloxy]propyl] 13-(3-methyl-5-pentylfuran-2-yl)tridecanoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

893.61456 Da
Monoisotopic Mass

12.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 894.62184 299.2
[M+Na]+ 916.60378 301.1
[M+NH4]+ 911.64838 302.0
[M+K]+ 932.57772 302.6
[M-H]- 892.60728 289.2
[M+Na-2H]- 914.58923 297.0
[M]+ 893.61401 297.8
[M]- 893.61511 297.8
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.