CID 131973

Bn 52207

Structural Information

Molecular Formula
C28H62N2O5P
SMILES
CCCCCCCCCCCCCCCCCCN(C)CC(COC)OP(=O)(O)OCC[N+](C)(C)C
InChI
InChI=1S/C28H61N2O5P/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-29(2)26-28(27-33-6)35-36(31,32)34-25-24-30(3,4)5/h28H,7-27H2,1-6H3/p+1
InChIKey
MAWNMMWIOFZBOQ-UHFFFAOYSA-O
Compound name
2-[hydroxy-[1-methoxy-3-[methyl(octadecyl)amino]propan-2-yl]oxyphosphoryl]oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1
Patents

537.43964 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 538.44692 250.4
[M+Na]+ 560.42886 253.8
[M+NH4]+ 555.47346 256.6
[M+K]+ 576.40280 258.3
[M-H]- 536.43236 244.3
[M+Na-2H]- 558.41431 240.8
[M]+ 537.43909 250.5
[M]- 537.44019 250.5
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