CID 131770194

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

Structural Information

Molecular Formula
C45H78NO10P
SMILES
CCCCCC1=CC(=C(O1)CCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCC2=C(C=C(O2)CCC)C)COP(=O)(O)OCCN)C
InChI
InChI=1S/C45H78NO10P/c1-5-7-20-26-40-34-38(4)43(55-40)28-22-17-13-9-11-15-19-24-30-45(48)56-41(36-53-57(49,50)52-32-31-46)35-51-44(47)29-23-18-14-10-8-12-16-21-27-42-37(3)33-39(54-42)25-6-2/h33-34,41H,5-32,35-36,46H2,1-4H3,(H,49,50)/t41-/m1/s1
InChIKey
RVDJJHCMDIGKFU-VQJSHJPSSA-N
Compound name
[(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-[11-(3-methyl-5-pentylfuran-2-yl)undecanoyloxy]propyl] 11-(3-methyl-5-propylfuran-2-yl)undecanoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

823.5363 Da
Monoisotopic Mass

9.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 824.54358 282.5
[M+Na]+ 846.52552 285.3
[M+NH4]+ 841.57012 285.7
[M+K]+ 862.49946 285.9
[M-H]- 822.52902 274.0
[M+Na-2H]- 844.51097 282.0
[M]+ 823.53575 281.6
[M]- 823.53685 281.6
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.