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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.14684 177.4
[M+Na]+ 346.12878 185.0
[M-H]- 322.13228 185.6
[M+NH4]+ 341.17338 194.8
[M+K]+ 362.10272 176.1
[M+H-H2O]+ 306.13682 171.9
[M+HCOO]- 368.13776 199.2
[M+CH3COO]- 382.15341 205.3
[M+Na-2H]- 344.11423 182.4
[M]+ 323.13901 178.9
[M]- 323.14011 178.9
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.