CID 53481367

Sm(d18:1/18:1(11z))

Structural Information

Molecular Formula
C41H82N2O6P
SMILES
CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)OCC[N+](C)(C)C)NC(=O)CCCCCCCCC/C=C\CCCCCC)O
InChI
InChI=1S/C41H81N2O6P/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-35-41(45)42-39(38-49-50(46,47)48-37-36-43(3,4)5)40(44)34-32-30-28-26-24-22-19-17-15-13-11-9-7-2/h16,18,32,34,39-40,44H,6-15,17,19-31,33,35-38H2,1-5H3,(H-,42,45,46,47)/p+1/b18-16-,34-32+/t39-,40+/m0/s1
InChIKey
FZMKZVXNTLAHFD-RTEXEOPXSA-O
Compound name
2-[hydroxy-[(E,2S,3R)-3-hydroxy-2-[[(Z)-octadec-11-enoyl]amino]octadec-4-enoxy]phosphoryl]oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

729.59106 Da
Monoisotopic Mass

12.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 730.59834 284.9
[M+Na]+ 752.58028 286.5
[M+NH4]+ 747.62488 254.2
[M+K]+ 768.55422 291.2
[M-H]- 728.58378 278.3
[M+Na-2H]- 750.56573 271.9
[M]+ 729.59051 284.3
[M]- 729.59161 284.3
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.