CID 134159914

Ps(monome(13,5)/dime(13,5))

Structural Information

Molecular Formula
C53H92NO12P
SMILES
CCCCCC1=CC(=C(O1)CCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC(C(=O)O)N)OC(=O)CCCCCCCCCCCCC2=C(C(=C(O2)CCCCC)C)C)C
InChI
InChI=1S/C53H92NO12P/c1-6-8-26-32-45-38-42(3)48(64-45)33-28-22-18-14-10-12-16-20-24-30-36-51(55)61-39-46(40-62-67(59,60)63-41-47(54)53(57)58)65-52(56)37-31-25-21-17-13-11-15-19-23-29-35-50-44(5)43(4)49(66-50)34-27-9-7-2/h38,46-47H,6-37,39-41,54H2,1-5H3,(H,57,58)(H,59,60)
InChIKey
PAJGZNSJFANEJD-UHFFFAOYSA-N
Compound name
2-amino-3-[[2-[13-(3,4-dimethyl-5-pentylfuran-2-yl)tridecanoyloxy]-3-[13-(3-methyl-5-pentylfuran-2-yl)tridecanoyloxy]propoxy]-hydroxyphosphoryl]oxypropanoic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

965.63574 Da
Monoisotopic Mass

13.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 966.64302 310.2
[M+Na]+ 988.62496 311.5
[M+NH4]+ 983.66956 314.6
[M+K]+ 1004.5989 314.4
[M-H]- 964.62846 303.4
[M+Na-2H]- 986.61041 308.0
[M]+ 965.63519 309.9
[M]- 965.63629 309.9
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.