CID 3087225

2-((2-(dimethyl(3-(trimethylsilyl)propyl)ammonio)ethoxy)carbonyl)-1-methylquinolinium diiodide

Structural Information

Molecular Formula
C21H34N2O2Si
SMILES
C[N+]1=C(C=CC2=CC=CC=C21)C(=O)OCC[N+](C)(C)CCC[Si](C)(C)C
InChI
InChI=1S/C21H34N2O2Si/c1-22-19-11-8-7-10-18(19)12-13-20(22)21(24)25-16-15-23(2,3)14-9-17-26(4,5)6/h7-8,10-13H,9,14-17H2,1-6H3/q+2
InChIKey
QQOJUKGWORKASI-UHFFFAOYSA-N
Compound name
dimethyl-[2-(1-methylquinolin-1-ium-2-carbonyl)oxyethyl]-(3-trimethylsilylpropyl)azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

374.23895 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.24623 193.6
[M+Na]+ 397.22817 198.3
[M-H]- 373.23167 197.6
[M+NH4]+ 392.27277 206.3
[M+K]+ 413.20211 184.3
[M+H-H2O]+ 357.23621 190.8
[M+HCOO]- 419.23715 210.0
[M+CH3COO]- 433.25280 211.1
[M+Na-2H]- 395.21362 203.2
[M]+ 374.23840 196.5
[M]- 374.23950 196.5
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

No patent data available for this compound.