CID 3052954

Pyridinium, 3-dimethylcarbamoyloxy-1-(p-methoxybenzyl)-, bromide

Structural Information

Molecular Formula
C16H19N2O3
SMILES
CN(C)C(=O)OC1=C[N+](=CC=C1)CC2=CC=C(C=C2)OC
InChI
InChI=1S/C16H19N2O3/c1-17(2)16(19)21-15-5-4-10-18(12-15)11-13-6-8-14(20-3)9-7-13/h4-10,12H,11H2,1-3H3/q+1
InChIKey
WOUWFRMNQPPBBE-UHFFFAOYSA-N
Compound name
[1-[(4-methoxyphenyl)methyl]pyridin-1-ium-3-yl] N,N-dimethylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

287.13956 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.14684 168.6
[M+Na]+ 310.12878 175.1
[M-H]- 286.13228 175.7
[M+NH4]+ 305.17338 182.8
[M+K]+ 326.10272 168.0
[M+H-H2O]+ 270.13682 162.0
[M+HCOO]- 332.13776 192.0
[M+CH3COO]- 346.15341 199.0
[M+Na-2H]- 308.11423 174.9
[M]+ 287.13901 171.6
[M]- 287.14011 171.6
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.