CID 134159900

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

Structural Information

Molecular Formula
C46H78NO12P
SMILES
CCCCCC1=CC(=C(O1)CCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC2=C(C=C(O2)CCC)C)COP(=O)(O)OCC(C(=O)O)N)C
InChI
InChI=1S/C46H78NO12P/c1-5-7-20-26-39-32-37(4)43(58-39)28-22-17-13-9-11-15-19-24-30-45(49)59-40(34-55-60(52,53)56-35-41(47)46(50)51)33-54-44(48)29-23-18-14-10-8-12-16-21-27-42-36(3)31-38(57-42)25-6-2/h31-32,40-41H,5-30,33-35,47H2,1-4H3,(H,50,51)(H,52,53)
InChIKey
WWIVDYKPOZVJAX-UHFFFAOYSA-N
Compound name
2-amino-3-[hydroxy-[2-[11-(3-methyl-5-pentylfuran-2-yl)undecanoyloxy]-3-[11-(3-methyl-5-propylfuran-2-yl)undecanoyloxy]propoxy]phosphoryl]oxypropanoic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

867.5262 Da
Monoisotopic Mass

9.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 868.53348 287.7
[M+Na]+ 890.51542 290.1
[M+NH4]+ 885.56002 292.7
[M+K]+ 906.48936 291.7
[M-H]- 866.51892 283.0
[M+Na-2H]- 888.50087 287.9
[M]+ 867.52565 288.0
[M]- 867.52675 288.0
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.