CID 131770214

Pe(monome(13,5)/monome(9,5))

Structural Information

Molecular Formula
C47H82NO10P
SMILES
CCCCCC1=CC(=C(O1)CCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCCCC2=C(C=C(O2)CCCCC)C)C
InChI
InChI=1S/C47H82NO10P/c1-5-7-21-27-41-35-39(3)44(56-41)29-23-17-13-11-9-10-12-14-19-25-31-46(49)53-37-43(38-55-59(51,52)54-34-33-48)58-47(50)32-26-20-16-15-18-24-30-45-40(4)36-42(57-45)28-22-8-6-2/h35-36,43H,5-34,37-38,48H2,1-4H3,(H,51,52)/t43-/m1/s1
InChIKey
ROGHTLIYFLPTHA-VZUYHUTRSA-N
Compound name
[(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-[9-(3-methyl-5-pentylfuran-2-yl)nonanoyloxy]propyl] 13-(3-methyl-5-pentylfuran-2-yl)tridecanoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

851.5676 Da
Monoisotopic Mass

10.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 852.57488 288.6
[M+Na]+ 874.55682 291.1
[M+NH4]+ 869.60142 291.7
[M+K]+ 890.53076 292.1
[M-H]- 850.56032 279.4
[M+Na-2H]- 872.54227 287.5
[M]+ 851.56705 287.5
[M]- 851.56815 287.5
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.