CID 52923985

Pc(p-20:0/15:0)

Structural Information

Molecular Formula
C43H87NO7P
SMILES
CCCCCCCCCCCCCCCCCC/C=C\OC[C@H](COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCC
InChI
InChI=1S/C43H86NO7P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-27-29-31-33-35-38-48-40-42(41-50-52(46,47)49-39-37-44(3,4)5)51-43(45)36-34-32-30-28-26-19-17-15-13-11-9-7-2/h35,38,42H,6-34,36-37,39-41H2,1-5H3/p+1/b38-35-/t42-/m1/s1
InChIKey
PCSDNYMGQQKORG-PVPDQLFYSA-O
Compound name
2-[hydroxy-[(2R)-3-[(Z)-icos-1-enoxy]-2-pentadecanoyloxypropoxy]phosphoryl]oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

760.622 Da
Monoisotopic Mass

15.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 761.62928 291.0
[M+Na]+ 783.61122 291.9
[M-H]- 759.61472 281.4
[M+NH4]+ 778.65582 296.5
[M+K]+ 799.58516 295.1
[M+H-H2O]+ 743.61926 275.1
[M+HCOO]- 805.62020 297.5
[M+CH3COO]- 819.63585 289.7
[M+Na-2H]- 781.59667 268.5
[M]+ 760.62145 288.7
[M]- 760.62255 288.7
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.