CID 52923941

Pc(p-18:0/17:2(9z,12z))

Structural Information

Molecular Formula
C43H83NO7P
SMILES
CCCCCCCCCCCCCCCC/C=C\OC[C@H](COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\C/C=C\CCCC
InChI
InChI=1S/C43H82NO7P/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/h13,15,19,21,35,38,42H,6-12,14,16-18,20,22-34,36-37,39-41H2,1-5H3/p+1/b15-13-,21-19-,38-35-/t42-/m1/s1
InChIKey
TYJBKVADMXZIRD-FCQDNJPKSA-O
Compound name
2-[[(2R)-2-[(9Z,12Z)-heptadeca-9,12-dienoyl]oxy-3-[(Z)-octadec-1-enoxy]propoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

756.5907 Da
Monoisotopic Mass

14.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 757.59798 286.4
[M+Na]+ 779.57992 288.6
[M-H]- 755.58342 278.4
[M+NH4]+ 774.62452 292.6
[M+K]+ 795.55386 290.9
[M+H-H2O]+ 739.58796 270.7
[M+HCOO]- 801.58890 294.6
[M+CH3COO]- 815.60455 286.9
[M+Na-2H]- 777.56537 265.0
[M]+ 756.59015 283.8
[M]- 756.59125 283.8
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.