CID 52925029

Pe(o-18:0/16:0)

Structural Information

Molecular Formula
C39H80NO7P
SMILES
CCCCCCCCCCCCCCCCCCOC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCCCCCCCCCC
InChI
InChI=1S/C39H80NO7P/c1-3-5-7-9-11-13-15-17-18-19-21-23-25-27-29-31-34-44-36-38(37-46-48(42,43)45-35-33-40)47-39(41)32-30-28-26-24-22-20-16-14-12-10-8-6-4-2/h38H,3-37,40H2,1-2H3,(H,42,43)/t38-/m1/s1
InChIKey
FENSRZKRANTRCP-KXQOOQHDSA-N
Compound name
[(2R)-1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-octadecoxypropan-2-yl] hexadecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

705.56726 Da
Monoisotopic Mass

11.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 706.57454 277.4
[M+Na]+ 728.55648 279.0
[M-H]- 704.55998 264.7
[M+NH4]+ 723.60108 278.7
[M+K]+ 744.53042 280.8
[M+H-H2O]+ 688.56452 266.5
[M+HCOO]- 750.56546 278.4
[M+CH3COO]- 764.58111 284.6
[M+Na-2H]- 726.54193 255.0
[M]+ 705.56671 273.2
[M]- 705.56781 273.2
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.