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 309.8
[M+Na]+ 958.65078 321.7
[M-H]- 934.65428 306.0
[M+NH4]+ 953.69538 324.9
[M+K]+ 974.62472 321.9
[M+H-H2O]+ 918.65882 309.0
[M+HCOO]- 980.65976 320.6
[M+CH3COO]- 994.67541 325.4
[M+Na-2H]- 956.63623 288.4
[M]+ 935.66101 315.0
[M]- 935.66211 315.0
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.