CID 131971

Bn 52208

Structural Information

Molecular Formula
C29H63N3O6P
SMILES
CCCCCCCCCCCCCCCCCCN(C)CC(COP(=O)(O)OCC[N+](C)(C)C)OC(=O)NC
InChI
InChI=1S/C29H62N3O6P/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-31(3)26-28(38-29(33)30-2)27-37-39(34,35)36-25-24-32(4,5)6/h28H,7-27H2,1-6H3,(H-,30,33,34,35)/p+1
InChIKey
DDTNMALHFGFFMI-UHFFFAOYSA-O
Compound name
2-[hydroxy-[2-(methylcarbamoyloxy)-3-[methyl(octadecyl)amino]propoxy]phosphoryl]oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

580.44543 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 581.45271 257.7
[M+Na]+ 603.43465 260.8
[M+NH4]+ 598.47925 263.9
[M+K]+ 619.40859 265.5
[M-H]- 579.43815 251.9
[M+Na-2H]- 601.42010 247.5
[M]+ 580.44488 257.9
[M]- 580.44598 257.9
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

patents stripe