CID 131770115

Pc(monome(11,3)/monome(9,5))

Structural Information

Molecular Formula
C46H81NO10P
SMILES
CCCCCC1=CC(=C(O1)CCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC2=C(C=C(O2)CCC)C)COP(=O)(O)OCC[N+](C)(C)C)C
InChI
InChI=1S/C46H80NO10P/c1-8-10-21-27-41-35-39(4)44(56-41)29-23-18-15-16-20-25-31-46(49)57-42(37-54-58(50,51)53-33-32-47(5,6)7)36-52-45(48)30-24-19-14-12-11-13-17-22-28-43-38(3)34-40(55-43)26-9-2/h34-35,42H,8-33,36-37H2,1-7H3/p+1
InChIKey
SAPVZOIDJUSJRK-UHFFFAOYSA-O
Compound name
2-[hydroxy-[2-[9-(3-methyl-5-pentylfuran-2-yl)nonanoyloxy]-3-[11-(3-methyl-5-propylfuran-2-yl)undecanoyloxy]propoxy]phosphoryl]oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

838.5598 Da
Monoisotopic Mass

11.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 839.56708 289.7
[M+Na]+ 861.54902 292.8
[M+NH4]+ 856.59362 262.3
[M+K]+ 877.52296 296.9
[M-H]- 837.55252 286.1
[M+Na-2H]- 859.53447 279.4
[M]+ 838.55925 290.6
[M]- 838.56035 290.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.