CID 52922660

Pc(18:0/19:0)

Structural Information

Molecular Formula
C45H91NO8P
SMILES
CCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCCC)COP(=O)(O)OCC[N+](C)(C)C
InChI
InChI=1S/C45H90NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-45(48)54-43(42-53-55(49,50)52-40-39-46(3,4)5)41-51-44(47)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h43H,6-42H2,1-5H3/p+1/t43-/m1/s1
InChIKey
IFJJJCCHAXWTHR-VZUYHUTRSA-O
Compound name
2-[hydroxy-[(2R)-2-nonadecanoyloxy-3-octadecanoyloxypropoxy]phosphoryl]oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

804.64825 Da
Monoisotopic Mass

16.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 805.65553 299.1
[M+Na]+ 827.63747 299.6
[M-H]- 803.64097 290.9
[M+NH4]+ 822.68207 306.9
[M+K]+ 843.61141 304.1
[M+H-H2O]+ 787.64551 283.8
[M+HCOO]- 849.64645 302.2
[M+CH3COO]- 863.66210 296.8
[M+Na-2H]- 825.62292 276.1
[M]+ 804.64770 297.9
[M]- 804.64880 297.9
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.