CID 52923939

Pc(p-18:0/17:1(9z))

Structural Information

Molecular Formula
C43H85NO7P
SMILES
CCCCCCCCCCCCCCCC/C=C\OC[C@H](COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\CCCCCCC
InChI
InChI=1S/C43H84NO7P/c1-6-8-10-12-14-16-18-20-22-23-25-27-29-31-33-35-38-48-40-42(41-50-52(46,47)49-39-37-44(3,4)5)51-43(45)36-34-32-30-28-26-24-21-19-17-15-13-11-9-7-2/h19,21,35,38,42H,6-18,20,22-34,36-37,39-41H2,1-5H3/p+1/b21-19-,38-35-/t42-/m1/s1
InChIKey
YECSIRALDAYFCD-IGJYQBRWSA-O
Compound name
2-[[(2R)-2-[(Z)-heptadec-9-enoyl]oxy-3-[(Z)-octadec-1-enoxy]propoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

758.6064 Da
Monoisotopic Mass

14.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 759.61368 288.7
[M+Na]+ 781.59562 290.2
[M-H]- 757.59912 279.8
[M+NH4]+ 776.64022 294.5
[M+K]+ 797.56956 292.9
[M+H-H2O]+ 741.60366 272.9
[M+HCOO]- 803.60460 296.0
[M+CH3COO]- 817.62025 288.3
[M+Na-2H]- 779.58107 266.7
[M]+ 758.60585 286.2
[M]- 758.60695 286.2
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.