CID 52923889

Pc(p-16:0/17:2(9z,12z))

Structural Information

Molecular Formula
C41H79NO7P
SMILES
CCCCCCCCCCCCCC/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/C41H78NO7P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-41(43)49-40(39-48-50(44,45)47-37-35-42(3,4)5)38-46-36-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h12,14,18,20,33,36,40H,6-11,13,15-17,19,21-32,34-35,37-39H2,1-5H3/p+1/b14-12-,20-18-,36-33-/t40-/m1/s1
InChIKey
RWRVIUCMDZDLOX-PISDLAQISA-O
Compound name
2-[[(2R)-2-[(9Z,12Z)-heptadeca-9,12-dienoyl]oxy-3-[(Z)-hexadec-1-enoxy]propoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

728.5594 Da
Monoisotopic Mass

13.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 729.56668 280.0
[M+Na]+ 751.54862 282.5
[M-H]- 727.55212 272.7
[M+NH4]+ 746.59322 286.2
[M+K]+ 767.52256 283.9
[M+H-H2O]+ 711.55666 264.4
[M+HCOO]- 773.55760 288.9
[M+CH3COO]- 787.57325 281.5
[M+Na-2H]- 749.53407 259.4
[M]+ 728.55885 277.2
[M]- 728.55995 277.2
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.