CID 4134

Benzilyloxyethyldiethylmethylammonium chloride

Structural Information

Molecular Formula
C21H28NO3
SMILES
CC[N+](C)(CC)CCOC(=O)C(C1=CC=CC=C1)(C2=CC=CC=C2)O
InChI
InChI=1S/C21H28NO3/c1-4-22(3,5-2)16-17-25-20(23)21(24,18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6-15,24H,4-5,16-17H2,1-3H3/q+1
InChIKey
HDAMOICMOAXFLJ-UHFFFAOYSA-N
Compound name
diethyl-[2-(2-hydroxy-2,2-diphenylacetyl)oxyethyl]-methylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

509
Patents

342.2069 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.21418 182.5
[M+Na]+ 365.19612 195.5
[M+NH4]+ 360.24072 190.3
[M+K]+ 381.17006 189.7
[M-H]- 341.19962 187.3
[M+Na-2H]- 363.18157 191.4
[M]+ 342.20635 186.2
[M]- 342.20745 186.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe