CID 52923883

Pc(p-16:0/16:1(9z))

Structural Information

Molecular Formula
C40H79NO7P
SMILES
CCCCCCCCCCCCCC/C=C\OC[C@H](COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\CCCCCC
InChI
InChI=1S/C40H78NO7P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-35-45-37-39(38-47-49(43,44)46-36-34-41(3,4)5)48-40(42)33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h17,19,32,35,39H,6-16,18,20-31,33-34,36-38H2,1-5H3/p+1/b19-17-,35-32-/t39-/m1/s1
InChIKey
FZMYLOBGNYZPQO-QLSONYGBSA-O
Compound name
2-[[(2R)-3-[(Z)-hexadec-1-enoxy]-2-[(Z)-hexadec-9-enoyl]oxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

13
Patents

716.5594 Da
Monoisotopic Mass

13.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 717.56668 278.7
[M+Na]+ 739.54862 281.2
[M+NH4]+ 734.59322 252.1
[M+K]+ 755.52256 286.4
[M-H]- 715.55212 272.7
[M+Na-2H]- 737.53407 267.0
[M]+ 716.55885 278.6
[M]- 716.55995 278.6
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.