CID 165415613

Lpe(o-18:2/0:0)

Structural Information

Molecular Formula
C23H46NO6P
SMILES
CCCCC/C=C\C/C=C\CCCCCCCCOC[C@H](COP(=O)(O)OCCN)O
InChI
InChI=1S/C23H46NO6P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-28-21-23(25)22-30-31(26,27)29-20-18-24/h6-7,9-10,23,25H,2-5,8,11-22,24H2,1H3,(H,26,27)/b7-6-,10-9-/t23-/m1/s1
InChIKey
DBVHWKABURKXNY-HTBJJZHRSA-N
Compound name
2-aminoethyl [(2R)-2-hydroxy-3-[(9Z,12Z)-octadeca-9,12-dienoxy]propyl] hydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

463.30627 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 464.31355 216.0
[M+Na]+ 486.29549 220.2
[M-H]- 462.29899 207.8
[M+NH4]+ 481.34009 213.6
[M+K]+ 502.26943 214.4
[M+H-H2O]+ 446.30353 205.2
[M+HCOO]- 508.30447 225.0
[M+CH3COO]- 522.32012 233.6
[M+Na-2H]- 484.28094 200.3
[M]+ 463.30572 209.8
[M]- 463.30682 209.8
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.