CID 52925012

Pe(o-20:0/19:0)

Structural Information

Molecular Formula
C44H90NO7P
SMILES
CCCCCCCCCCCCCCCCCCCCOC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCCCCCCCCCCCCC
InChI
InChI=1S/C44H90NO7P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-39-49-41-43(42-51-53(47,48)50-40-38-45)52-44(46)37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h43H,3-42,45H2,1-2H3,(H,47,48)/t43-/m1/s1
InChIKey
MCJOKLHUGODKBY-VZUYHUTRSA-N
Compound name
[(2R)-1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-icosoxypropan-2-yl] nonadecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

775.6455 Da
Monoisotopic Mass

14.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 776.65278 293.5
[M+Na]+ 798.63472 294.2
[M-H]- 774.63822 278.8
[M+NH4]+ 793.67932 294.8
[M+K]+ 814.60866 298.1
[M+H-H2O]+ 758.64276 282.0
[M+HCOO]- 820.64370 292.5
[M+CH3COO]- 834.65935 297.8
[M+Na-2H]- 796.62017 269.2
[M]+ 775.64495 289.6
[M]- 775.64605 289.6
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.