CID 134159862

Ps(dime(11,5)/dime(9,5))

Structural Information

Molecular Formula
C48H82NO12P
SMILES
CCCCCC1=C(C(=C(O1)CCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC(C(=O)O)N)OC(=O)CCCCCCCCC2=C(C(=C(O2)CCCCC)C)C)C)C
InChI
InChI=1S/C48H82NO12P/c1-7-9-21-27-42-36(3)38(5)44(60-42)29-23-17-13-11-12-14-19-25-31-46(50)56-33-40(34-57-62(54,55)58-35-41(49)48(52)53)59-47(51)32-26-20-16-15-18-24-30-45-39(6)37(4)43(61-45)28-22-10-8-2/h40-41H,7-35,49H2,1-6H3,(H,52,53)(H,54,55)
InChIKey
MZCHQUPJRSRWTG-UHFFFAOYSA-N
Compound name
2-amino-3-[[2-[9-(3,4-dimethyl-5-pentylfuran-2-yl)nonanoyloxy]-3-[11-(3,4-dimethyl-5-pentylfuran-2-yl)undecanoyloxy]propoxy]-hydroxyphosphoryl]oxypropanoic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

895.55743 Da
Monoisotopic Mass

10.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 896.56471 297.0
[M+Na]+ 918.54665 298.4
[M+NH4]+ 913.59125 301.3
[M+K]+ 934.52059 300.3
[M-H]- 894.55015 291.9
[M+Na-2H]- 916.53210 296.1
[M]+ 895.55688 296.9
[M]- 895.55798 296.9
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.