CID 52922954

Pc(19:0/17:2(9z,12z))

Structural Information

Molecular Formula
C44H85NO8P
SMILES
CCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\C/C=C\CCCC
InChI
InChI=1S/C44H84NO8P/c1-6-8-10-12-14-16-18-20-22-23-25-26-28-30-32-34-36-43(46)50-40-42(41-52-54(48,49)51-39-38-45(3,4)5)53-44(47)37-35-33-31-29-27-24-21-19-17-15-13-11-9-7-2/h13,15,19,21,42H,6-12,14,16-18,20,22-41H2,1-5H3/p+1/b15-13-,21-19-/t42-/m1/s1
InChIKey
QXYCOSSNZHGBQM-SAEGERMGSA-O
Compound name
2-[[(2R)-2-[(9Z,12Z)-heptadeca-9,12-dienoyl]oxy-3-nonadecanoyloxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

786.60126 Da
Monoisotopic Mass

14.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 787.60854 291.4
[M+Na]+ 809.59048 293.4
[M-H]- 785.59398 285.2
[M+NH4]+ 804.63508 299.9
[M+K]+ 825.56442 296.5
[M+H-H2O]+ 769.59852 276.3
[M+HCOO]- 831.59946 296.6
[M+CH3COO]- 845.61511 291.4
[M+Na-2H]- 807.57593 269.9
[M]+ 786.60071 289.7
[M]- 786.60181 289.7
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.