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 256.0
[M-H]- 536.43236 246.1
[M+NH4]+ 555.47346 255.5
[M+K]+ 576.40280 252.8
[M+H-H2O]+ 520.43690 235.9
[M+HCOO]- 582.43784 260.9
[M+CH3COO]- 596.45349 255.7
[M+Na-2H]- 558.41431 233.8
[M]+ 537.43909 246.5
[M]- 537.44019 246.5
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