CID 131821029

Pe-nme2(15:0/18:0)

Structural Information

Molecular Formula
C40H80NO8P
SMILES
CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCC)COP(=O)(O)OCCN(C)C
InChI
InChI=1S/C40H80NO8P/c1-5-7-9-11-13-15-17-19-20-21-23-25-27-29-31-33-40(43)49-38(37-48-50(44,45)47-35-34-41(3)4)36-46-39(42)32-30-28-26-24-22-18-16-14-12-10-8-6-2/h38H,5-37H2,1-4H3,(H,44,45)
InChIKey
TXTZEYGNSMCUGC-UHFFFAOYSA-N
Compound name
[1-[2-(dimethylamino)ethoxy-hydroxyphosphoryl]oxy-3-pentadecanoyloxypropan-2-yl] octadecanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

733.56213 Da
Monoisotopic Mass

11.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 734.56941 287.6
[M+Na]+ 756.55135 291.3
[M-H]- 732.55485 279.9
[M+NH4]+ 751.59595 296.6
[M+K]+ 772.52529 294.2
[M+H-H2O]+ 716.55939 279.6
[M+HCOO]- 778.56033 286.5
[M+CH3COO]- 792.57598 291.4
[M+Na-2H]- 754.53680 266.9
[M]+ 733.56158 286.7
[M]- 733.56268 286.7
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.