CID 131821817

Chebi:184310

Structural Information

Molecular Formula
C53H94NO10P
SMILES
CCCCCC1=CC(=C(O1)CCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN(C)C)OC(=O)CCCCCCCCCCCCC2=C(C=C(O2)CCCCC)C)C
InChI
InChI=1S/C53H94NO10P/c1-7-9-27-33-47-41-45(3)50(62-47)35-29-23-19-15-11-13-17-21-25-31-37-52(55)59-43-49(44-61-65(57,58)60-40-39-54(5)6)64-53(56)38-32-26-22-18-14-12-16-20-24-30-36-51-46(4)42-48(63-51)34-28-10-8-2/h41-42,49H,7-40,43-44H2,1-6H3,(H,57,58)/t49-/m1/s1
InChIKey
XCFXNKANRUJRFM-ANFMRNGASA-N
Compound name
[(2R)-3-[2-(dimethylamino)ethoxy-hydroxyphosphoryl]oxy-2-[13-(3-methyl-5-pentylfuran-2-yl)tridecanoyloxy]propyl] 13-(3-methyl-5-pentylfuran-2-yl)tridecanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

935.66156 Da
Monoisotopic Mass

13.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 936.66884 314.2
[M+Na]+ 958.65078 315.8
[M+NH4]+ 953.69538 318.8
[M+K]+ 974.62472 317.9
[M-H]- 934.65428 303.8
[M+Na-2H]- 956.63623 311.1
[M]+ 935.66101 313.1
[M]- 935.66211 313.1
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.