CID 3042216

1-((n-(1,3-dioxo-2-ethyl-2-indanyl)-n-methylcarbamoyl)methyl)pyridinium chloride

Structural Information

Molecular Formula

C₁₉H₁₉N₂O₃

SMILES

CCC1(C(=O)C2=CC=CC=C2C1=O)N(C)C(=O)C[N+]3=CC=CC=C3

InChI

InChI=1S/C19H19N2O3/c1-3-19(17(23)14-9-5-6-10-15(14)18(19)24)20(2)16(22)13-21-11-7-4-8-12-21/h4-12H,3,13H2,1-2H3/q+1

InChIKey

JHRGKYAIRJOKDJ-UHFFFAOYSA-N

Compound name

N-(2-ethyl-1,3-dioxoinden-2-yl)-N-methyl-2-pyridin-1-ium-1-ylacetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 323.13956 Da
Monoisotopic Mass: 2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	324.146836	177.4
[M+Na]+	346.128778	185.0
[M-H]-	322.132284	185.6
[M+NH4]+	341.173383	194.8
[M+K]+	362.102718	176.1
[M+H-H2O]+	306.136820	171.9
[M+HCOO]-	368.137761	199.2
[M+CH3COO]-	382.153411	205.3
[M+Na-2H]-	344.114226	182.4
[M]+	323.13901142	178.9
[M]-	323.14010858	178.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.