CID 131821811

Pe-nme2(13d5/9m5)

Structural Information

Molecular Formula
C50H88NO10P
SMILES
CCCCCC1=CC(=C(O1)CCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCC2=C(C(=C(O2)CCCCC)C)C)COP(=O)(O)OCCN(C)C)C
InChI
InChI=1S/C50H88NO10P/c1-8-10-24-30-44-38-41(3)46(59-44)31-26-20-18-19-23-29-35-50(53)60-45(40-58-62(54,55)57-37-36-51(6)7)39-56-49(52)34-28-22-17-15-13-12-14-16-21-27-33-48-43(5)42(4)47(61-48)32-25-11-9-2/h38,45H,8-37,39-40H2,1-7H3,(H,54,55)/t45-/m1/s1
InChIKey
LAXZAPMFXUDLQZ-WBVITSLISA-N
Compound name
[(2R)-3-[2-(dimethylamino)ethoxy-hydroxyphosphoryl]oxy-2-[9-(3-methyl-5-pentylfuran-2-yl)nonanoyloxy]propyl] 13-(3,4-dimethyl-5-pentylfuran-2-yl)tridecanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

893.61456 Da
Monoisotopic Mass

12.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 894.62184 306.9
[M+Na]+ 916.60378 308.4
[M+NH4]+ 911.64838 311.4
[M+K]+ 932.57772 309.9
[M-H]- 892.60728 297.6
[M+Na-2H]- 914.58923 304.5
[M]+ 893.61401 306.0
[M]- 893.61511 306.0
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.