CID 134159851

Ps(dime(11,3)/dime(13,5))

Structural Information

Molecular Formula
C50H86NO12P
SMILES
CCCCCC1=C(C(=C(O1)CCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC2=C(C(=C(O2)CCC)C)C)COP(=O)(O)OCC(C(=O)O)N)C)C
InChI
InChI=1S/C50H86NO12P/c1-7-9-24-30-45-40(5)41(6)47(63-45)32-26-20-16-12-10-11-13-19-23-28-34-49(53)61-42(36-59-64(56,57)60-37-43(51)50(54)55)35-58-48(52)33-27-22-18-15-14-17-21-25-31-46-39(4)38(3)44(62-46)29-8-2/h42-43H,7-37,51H2,1-6H3,(H,54,55)(H,56,57)
InChIKey
PJNQDNSRCUWPPT-UHFFFAOYSA-N
Compound name
2-amino-3-[[2-[13-(3,4-dimethyl-5-pentylfuran-2-yl)tridecanoyloxy]-3-[11-(3,4-dimethyl-5-propylfuran-2-yl)undecanoyloxy]propoxy]-hydroxyphosphoryl]oxypropanoic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

923.58875 Da
Monoisotopic Mass

11.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 924.59603 302.9
[M+Na]+ 946.57797 304.2
[M+NH4]+ 941.62257 307.2
[M+K]+ 962.55191 306.5
[M-H]- 922.58147 297.2
[M+Na-2H]- 944.56342 301.5
[M]+ 923.58820 302.7
[M]- 923.58930 302.7
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.