CID 3069374

Dimethyl(2-hydroxyethyl)(3-(triethylsilyl)propyl)ammonium iodide 3,4,5-trimethoxybenzoate

Structural Information

Molecular Formula
C23H42NO5Si
SMILES
CC[Si](CC)(CC)CCC[N+](C)(C)CCOC(=O)C1=CC(=C(C(=C1)OC)OC)OC
InChI
InChI=1S/C23H42NO5Si/c1-9-30(10-2,11-3)16-12-13-24(4,5)14-15-29-23(25)19-17-20(26-6)22(28-8)21(18-19)27-7/h17-18H,9-16H2,1-8H3/q+1
InChIKey
SIVQZQZWUCYGEF-UHFFFAOYSA-N
Compound name
dimethyl-(3-triethylsilylpropyl)-[2-(3,4,5-trimethoxybenzoyl)oxyethyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

440.28323 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 441.29051 206.8
[M+Na]+ 463.27245 216.9
[M+NH4]+ 458.31705 211.9
[M+K]+ 479.24639 212.2
[M-H]- 439.27595 208.1
[M+Na-2H]- 461.25790 209.6
[M]+ 440.28268 208.9
[M]- 440.28378 208.9
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.