CID 3052944

1-benzyl-3-diethylcarbamoyloxypyridinium bromide

Structural Information

Molecular Formula
C17H21N2O2
SMILES
CCN(CC)C(=O)OC1=C[N+](=CC=C1)CC2=CC=CC=C2
InChI
InChI=1S/C17H21N2O2/c1-3-19(4-2)17(20)21-16-11-8-12-18(14-16)13-15-9-6-5-7-10-15/h5-12,14H,3-4,13H2,1-2H3/q+1
InChIKey
PCEVYEYCDKVRCU-UHFFFAOYSA-N
Compound name
(1-benzylpyridin-1-ium-3-yl) N,N-diethylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

285.1603 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.16758 166.3
[M+Na]+ 308.14952 181.6
[M+NH4]+ 303.19412 175.0
[M+K]+ 324.12346 174.8
[M-H]- 284.15302 172.4
[M+Na-2H]- 306.13497 176.2
[M]+ 285.15975 170.6
[M]- 285.16085 170.6
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.