CID 146036839

Pc(17:0/18:1(9z))

Structural Information

Molecular Formula
C43H85NO8P
SMILES
[2H][C@@](C([2H])([2H])OC(=O)CCCCCCCCCCCCCCCC)(C([2H])([2H])OP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\CCCCCCCC
InChI
InChI=1S/C43H84NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-43(46)52-41(40-51-53(47,48)50-38-37-44(3,4)5)39-49-42(45)35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h20,22,41H,6-19,21,23-40H2,1-5H3/p+1/b22-20-/t41-/m1/s1/i39D2,40D2,41D
InChIKey
SXNXGNVZTLZDHE-VMXKQYCESA-O
Compound name
2-[hydroxy-[(2R)-1,1,2,3,3-pentadeuterio-3-heptadecanoyloxy-2-[(Z)-octadec-9-enoyl]oxypropoxy]phosphoryl]oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

3
Patents

779.6327 Da
Monoisotopic Mass

14.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 780.63998 281.9
[M+Na]+ 802.62192 281.5
[M-H]- 778.62542 278.0
[M+NH4]+ 797.66652 290.6
[M+K]+ 818.59586 287.7
[M+H-H2O]+ 762.62996 261.6
[M+HCOO]- 824.63090 292.0
[M+CH3COO]- 838.64655 291.0
[M+Na-2H]- 800.60737 260.7
[M]+ 779.63215 285.4
[M]- 779.63325 285.4
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.