CID 42607466

Chebi:78390

Structural Information

Molecular Formula
C21H46NO6P
SMILES
CCCCCCCCCCCCCCCCOC[C@H](COP(=O)(O)OCCN)O
InChI
InChI=1S/C21H46NO6P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17-26-19-21(23)20-28-29(24,25)27-18-16-22/h21,23H,2-20,22H2,1H3,(H,24,25)/t21-/m1/s1
InChIKey
OKXWJISJKQKUTN-OAQYLSRUSA-N
Compound name
2-aminoethyl [(2R)-3-hexadecoxy-2-hydroxypropyl] hydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

439.30627 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 440.31355 214.3
[M+Na]+ 462.29549 218.7
[M+NH4]+ 457.34009 216.6
[M+K]+ 478.26943 214.9
[M-H]- 438.29899 205.5
[M+Na-2H]- 460.28094 218.1
[M]+ 439.30572 212.3
[M]- 439.30682 212.3
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.