CID 134726027

Sm(d16:0/14:0)

Structural Information

Molecular Formula
C35H74N2O6P
SMILES
CCCCCCCCCCCCC[C@H]([C@H](COP(=O)(O)OCC[N+](C)(C)C)NC(=O)CCCCCCCCCCCCC)O
InChI
InChI=1S/C35H73N2O6P/c1-6-8-10-12-14-16-18-20-22-24-26-28-34(38)33(32-43-44(40,41)42-31-30-37(3,4)5)36-35(39)29-27-25-23-21-19-17-15-13-11-9-7-2/h33-34,38H,6-32H2,1-5H3,(H-,36,39,40,41)/p+1/t33-,34+/m0/s1
InChIKey
DBFSACLFYLOTEQ-SZAHLOSFSA-O
Compound name
2-[hydroxy-[(2S,3R)-3-hydroxy-2-(tetradecanoylamino)hexadecoxy]phosphoryl]oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

649.52844 Da
Monoisotopic Mass

10.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 650.53572 268.3
[M+Na]+ 672.51766 271.0
[M-H]- 648.52116 263.4
[M+NH4]+ 667.56226 271.1
[M+K]+ 688.49160 270.9
[M+H-H2O]+ 632.52570 251.3
[M+HCOO]- 694.52664 271.0
[M+CH3COO]- 708.54229 271.0
[M+Na-2H]- 670.50311 248.2
[M]+ 649.52789 262.0
[M]- 649.52899 262.0
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.