CID 131821807

Chebi:185523

Structural Information

Molecular Formula
C55H98NO10P
SMILES
CCCCCC1=C(C(=C(O1)CCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN(C)C)OC(=O)CCCCCCCCCCCCC2=C(C(=C(O2)CCCCC)C)C)C)C
InChI
InChI=1S/C55H98NO10P/c1-9-11-29-35-50-45(3)47(5)52(65-50)37-31-25-21-17-13-15-19-23-27-33-39-54(57)61-43-49(44-63-67(59,60)62-42-41-56(7)8)64-55(58)40-34-28-24-20-16-14-18-22-26-32-38-53-48(6)46(4)51(66-53)36-30-12-10-2/h49H,9-44H2,1-8H3,(H,59,60)/t49-/m1/s1
InChIKey
FVDDCINJXQVWTB-ANFMRNGASA-N
Compound name
[(2R)-3-[2-(dimethylamino)ethoxy-hydroxyphosphoryl]oxy-2-[13-(3,4-dimethyl-5-pentylfuran-2-yl)tridecanoyloxy]propyl] 13-(3,4-dimethyl-5-pentylfuran-2-yl)tridecanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

963.6928 Da
Monoisotopic Mass

14.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 964.70008 318.4
[M+Na]+ 986.68202 329.7
[M-H]- 962.68552 314.9
[M+NH4]+ 981.72662 334.0
[M+K]+ 1002.6560 331.6
[M+H-H2O]+ 946.69006 317.1
[M+HCOO]- 1008.6910 328.6
[M+CH3COO]- 1022.7067 332.8
[M+Na-2H]- 984.66747 296.2
[M]+ 963.69225 324.0
[M]- 963.69335 324.0
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.