CID 134750860

Sm(d16:0/16:0)

Structural Information

Molecular Formula
C37H78N2O6P
SMILES
CCCCCCCCCCCCCCCC(=O)N[C@@H](COP(=O)(O)OCC[N+](C)(C)C)[C@@H](CCCCCCCCCCCCC)O
InChI
InChI=1S/C37H77N2O6P/c1-6-8-10-12-14-16-18-19-21-23-25-27-29-31-37(41)38-35(34-45-46(42,43)44-33-32-39(3,4)5)36(40)30-28-26-24-22-20-17-15-13-11-9-7-2/h35-36,40H,6-34H2,1-5H3,(H-,38,41,42,43)/p+1/t35-,36+/m0/s1
InChIKey
MUKWTVAUVKVVGS-MPQUPPDSSA-O
Compound name
2-[[(2S,3R)-2-(hexadecanoylamino)-3-hydroxyhexadecoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

677.55975 Da
Monoisotopic Mass

11.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 678.56703 274.8
[M+Na]+ 700.54897 277.2
[M-H]- 676.55247 269.2
[M+NH4]+ 695.59357 277.7
[M+K]+ 716.52291 277.9
[M+H-H2O]+ 660.55701 257.7
[M+HCOO]- 722.55795 276.8
[M+CH3COO]- 736.57360 276.5
[M+Na-2H]- 698.53442 254.0
[M]+ 677.55920 268.6
[M]- 677.56030 268.6
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.