CID 52923995

Pc(p-20:0/17:1(9z))

Structural Information

Molecular Formula
C45H89NO7P
SMILES
CCCCCCCCCCCCCCCCCC/C=C\OC[C@H](COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\CCCCCCC
InChI
InChI=1S/C45H88NO7P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-29-31-33-35-37-40-50-42-44(43-52-54(48,49)51-41-39-46(3,4)5)53-45(47)38-36-34-32-30-28-26-21-19-17-15-13-11-9-7-2/h19,21,37,40,44H,6-18,20,22-36,38-39,41-43H2,1-5H3/p+1/b21-19-,40-37-/t44-/m1/s1
InChIKey
VSDMIHBQDWSLQW-JDSUKRDLSA-O
Compound name
2-[[(2R)-2-[(Z)-heptadec-9-enoyl]oxy-3-[(Z)-icos-1-enoxy]propoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

786.6377 Da
Monoisotopic Mass

15.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 787.64498 295.0
[M+Na]+ 809.62692 296.2
[M-H]- 785.63042 285.5
[M+NH4]+ 804.67152 300.9
[M+K]+ 825.60086 299.8
[M+H-H2O]+ 769.63496 279.0
[M+HCOO]- 831.63590 301.6
[M+CH3COO]- 845.65155 293.6
[M+Na-2H]- 807.61237 272.3
[M]+ 786.63715 292.7
[M]- 786.63825 292.7
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.