CID 30526

(phosphinicobis(iminotrimethylene))bis(trimethylammonium bromide) phenyl ester

Structural Information

Molecular Formula
C18H37N4O2P
SMILES
C[N+](C)(C)CCCNP(=O)(NCCC[N+](C)(C)C)OC1=CC=CC=C1
InChI
InChI=1S/C18H37N4O2P/c1-21(2,3)16-10-14-19-25(23,20-15-11-17-22(4,5)6)24-18-12-8-7-9-13-18/h7-9,12-13H,10-11,14-17H2,1-6H3,(H2,19,20,23)/q+2
InChIKey
LEZBTSSXDFHTDM-UHFFFAOYSA-N
Compound name
trimethyl-[3-[[phenoxy-[3-(trimethylazaniumyl)propylamino]phosphoryl]amino]propyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

372.2654 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.27268 185.9
[M+Na]+ 395.25462 187.1
[M-H]- 371.25812 190.1
[M+NH4]+ 390.29922 198.5
[M+K]+ 411.22856 175.4
[M+H-H2O]+ 355.26266 181.3
[M+HCOO]- 417.26360 213.8
[M+CH3COO]- 431.27925 221.1
[M+Na-2H]- 393.24007 197.7
[M]+ 372.26485 187.9
[M]- 372.26595 187.9
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

No patent data available for this compound.