CID 53481784

Sm(d18:0/20:2(11z,14z))

Structural Information

Molecular Formula
C43H84N2O6P
SMILES
CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)OCC[N+](C)(C)C)NC(=O)CCCCCCCCC/C=C\C/C=C\CCCCC)O
InChI
InChI=1S/C43H83N2O6P/c1-6-8-10-12-14-16-18-20-21-22-23-25-27-29-31-33-35-37-43(47)44-41(40-51-52(48,49)50-39-38-45(3,4)5)42(46)36-34-32-30-28-26-24-19-17-15-13-11-9-7-2/h14,16,20-21,34,36,41-42,46H,6-13,15,17-19,22-33,35,37-40H2,1-5H3,(H-,44,47,48,49)/p+1/b16-14-,21-20-,36-34+/t41-,42+/m0/s1
InChIKey
YVTVVJRJLRHYSJ-XJRFMCMQSA-O
Compound name
2-[hydroxy-[(E,2S,3R)-3-hydroxy-2-[[(11Z,14Z)-icosa-11,14-dienoyl]amino]octadec-4-enoxy]phosphoryl]oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

25
Patents

755.6067 Da
Monoisotopic Mass

12.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 756.61398 289.0
[M+Na]+ 778.59592 290.5
[M+NH4]+ 773.64052 258.3
[M+K]+ 794.56986 295.5
[M-H]- 754.59942 282.4
[M+Na-2H]- 776.58137 275.6
[M]+ 755.60615 288.3
[M]- 755.60725 288.3
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.