CID 134159856

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

Structural Information

Molecular Formula
C49H84NO12P
SMILES
CCCCCC1=CC(=C(O1)CCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC2=C(C(=C(O2)CCC)C)C)COP(=O)(O)OCC(C(=O)O)N)C
InChI
InChI=1S/C49H84NO12P/c1-6-8-23-29-41-34-38(3)44(60-41)30-24-19-15-11-9-10-12-18-22-27-33-48(52)61-42(36-58-63(55,56)59-37-43(50)49(53)54)35-57-47(51)32-26-21-17-14-13-16-20-25-31-46-40(5)39(4)45(62-46)28-7-2/h34,42-43H,6-33,35-37,50H2,1-5H3,(H,53,54)(H,55,56)
InChIKey
RRAJBYVSWYXFLA-UHFFFAOYSA-N
Compound name
2-amino-3-[[3-[11-(3,4-dimethyl-5-propylfuran-2-yl)undecanoyloxy]-2-[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

909.5731 Da
Monoisotopic Mass

10.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 910.58038 298.4
[M+Na]+ 932.56232 300.1
[M+NH4]+ 927.60692 303.0
[M+K]+ 948.53626 302.2
[M-H]- 908.56582 292.8
[M+Na-2H]- 930.54777 297.4
[M]+ 909.57255 298.3
[M]- 909.57365 298.3
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.