CID 52931170

Sm(d19:0/17:0)

Structural Information

Molecular Formula
C41H86N2O6P
SMILES
CCCCCCCCCCCCCCCC[C@H]([C@H](COP(=O)(O)OCC[N+](C)(C)C)NC(=O)CCCCCCCCCCCCCCCC)O
InChI
InChI=1S/C41H85N2O6P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-40(44)39(38-49-50(46,47)48-37-36-43(3,4)5)42-41(45)35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h39-40,44H,6-38H2,1-5H3,(H-,42,45,46,47)/p+1/t39-,40+/m0/s1
InChIKey
MFSIVYFLTVWNCY-IOLBBIBUSA-O
Compound name
2-[[(2S,3R)-2-(heptadecanoylamino)-3-hydroxynonadecoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

733.6224 Da
Monoisotopic Mass

14.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 734.62968 287.7
[M+Na]+ 756.61162 289.3
[M-H]- 732.61512 280.5
[M+NH4]+ 751.65622 290.4
[M+K]+ 772.58556 291.7
[M+H-H2O]+ 716.61966 270.1
[M+HCOO]- 778.62060 288.1
[M+CH3COO]- 792.63625 287.3
[M+Na-2H]- 754.59707 265.2
[M]+ 733.62185 281.6
[M]- 733.62295 281.6
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.