CID 46767

Benzilyloxypropyldimethylethylammonium chloride

Structural Information

Molecular Formula
C21H28NO3
SMILES
CC[N+](C)(C)CCCOC(=O)C(C1=CC=CC=C1)(C2=CC=CC=C2)O
InChI
InChI=1S/C21H28NO3/c1-4-22(2,3)16-11-17-25-20(23)21(24,18-12-7-5-8-13-18)19-14-9-6-10-15-19/h5-10,12-15,24H,4,11,16-17H2,1-3H3/q+1
InChIKey
ADHCYSKWKFMJCB-UHFFFAOYSA-N
Compound name
ethyl-[3-(2-hydroxy-2,2-diphenylacetyl)oxypropyl]-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 184.4
[M+Na]+ 365.19612 187.4
[M-H]- 341.19962 190.2
[M+NH4]+ 360.24072 196.8
[M+K]+ 381.17006 178.7
[M+H-H2O]+ 325.20416 178.9
[M+HCOO]- 387.20510 203.4
[M+CH3COO]- 401.22075 207.1
[M+Na-2H]- 363.18157 192.1
[M]+ 342.20635 185.2
[M]- 342.20745 185.2
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.