CID 53481726

Pc(o-18:1(9z)/18:1(11z))

Structural Information

Molecular Formula
C44H87NO7P
SMILES
CCCCCCCC/C=C\CCCCCCCCOC[C@H](COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCC/C=C\CCCCCC
InChI
InChI=1S/C44H86NO7P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-39-49-41-43(42-51-53(47,48)50-40-38-45(3,4)5)52-44(46)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h17,19-20,22,43H,6-16,18,21,23-42H2,1-5H3/p+1/b19-17-,22-20-/t43-/m1/s1
InChIKey
GSROTDACALJGFK-YIFANWOHSA-O
Compound name
2-[hydroxy-[(2R)-3-[(Z)-octadec-9-enoxy]-2-[(Z)-octadec-11-enoyl]oxypropoxy]phosphoryl]oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

2
Patents

772.622 Da
Monoisotopic Mass

14.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 773.62928 291.2
[M+Na]+ 795.61122 292.9
[M+NH4]+ 790.65582 264.9
[M+K]+ 811.58516 297.7
[M-H]- 771.61472 284.8
[M+Na-2H]- 793.59667 278.1
[M]+ 772.62145 290.7
[M]- 772.62255 290.7
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

patents stripe