CID 52923793

Pc(o-18:0/19:1(9z))

Structural Information

Molecular Formula
C45H91NO7P
SMILES
CCCCCCCCCCCCCCCCCCOC[C@H](COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\CCCCCCCCC
InChI
InChI=1S/C45H90NO7P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-45(47)53-44(43-52-54(48,49)51-41-39-46(3,4)5)42-50-40-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h22,24,44H,6-21,23,25-43H2,1-5H3/p+1/b24-22-/t44-/m1/s1
InChIKey
DUFHLOYCCULXPH-GRXGZEFFSA-O
Compound name
2-[hydroxy-[(2R)-2-[(Z)-nonadec-9-enoyl]oxy-3-octadecoxypropoxy]phosphoryl]oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

788.6533 Da
Monoisotopic Mass

15.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 789.66058 297.4
[M+Na]+ 811.64252 297.9
[M-H]- 787.64602 287.0
[M+NH4]+ 806.68712 302.9
[M+K]+ 827.61646 302.0
[M+H-H2O]+ 771.65056 281.3
[M+HCOO]- 833.65150 303.1
[M+CH3COO]- 847.66715 295.0
[M+Na-2H]- 809.62797 274.1
[M]+ 788.65275 295.2
[M]- 788.65385 295.2
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.