CID 131770085

Pc(dime(13,5)/monome(11,3))

Structural Information

Molecular Formula
C51H91NO10P
SMILES
CCCCCC1=C(C(=C(O1)CCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCC2=C(C=C(O2)CCC)C)C)C
InChI
InChI=1S/C51H90NO10P/c1-9-11-26-33-48-43(4)44(5)49(62-48)34-28-23-19-14-12-13-15-20-24-29-35-50(53)57-40-46(41-59-63(55,56)58-38-37-52(6,7)8)61-51(54)36-30-25-21-17-16-18-22-27-32-47-42(3)39-45(60-47)31-10-2/h39,46H,9-38,40-41H2,1-8H3/p+1
InChIKey
UVCWBPGXOVDHGC-UHFFFAOYSA-O
Compound name
2-[[3-[13-(3,4-dimethyl-5-pentylfuran-2-yl)tridecanoyloxy]-2-[11-(3-methyl-5-propylfuran-2-yl)undecanoyloxy]propoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

908.63806 Da
Monoisotopic Mass

14.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 909.64534 303.4
[M+Na]+ 931.62728 305.7
[M+NH4]+ 926.67188 278.5
[M+K]+ 947.60122 309.4
[M-H]- 907.63078 263.6
[M+Na-2H]- 929.61273 291.7
[M]+ 908.63751 303.9
[M]- 908.63861 303.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.