CID 134159852

Ps(dime(11,3)/dime(9,3))

Structural Information

Molecular Formula
C44H74NO12P
SMILES
CCCC1=C(C(=C(O1)CCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC(C(=O)O)N)OC(=O)CCCCCCCCC2=C(C(=C(O2)CCC)C)C)C)C
InChI
InChI=1S/C44H74NO12P/c1-7-23-38-32(3)34(5)40(56-38)25-19-15-11-9-10-12-17-21-27-42(46)52-29-36(30-53-58(50,51)54-31-37(45)44(48)49)55-43(47)28-22-18-14-13-16-20-26-41-35(6)33(4)39(57-41)24-8-2/h36-37H,7-31,45H2,1-6H3,(H,48,49)(H,50,51)
InChIKey
OVAAHOPQDWPMKM-UHFFFAOYSA-N
Compound name
2-amino-3-[[2-[9-(3,4-dimethyl-5-propylfuran-2-yl)nonanoyloxy]-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

839.4949 Da
Monoisotopic Mass

7.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 840.50218 284.8
[M+Na]+ 862.48412 286.6
[M+NH4]+ 857.52872 289.3
[M+K]+ 878.45806 287.7
[M-H]- 838.48762 281.0
[M+Na-2H]- 860.46957 285.2
[M]+ 839.49435 285.0
[M]- 839.49545 285.0
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.