CID 2824712

Maybridge3_004502

Structural Information

Molecular Formula

C₁₅H₁₄N₂O₃S

SMILES

C1COC2=C(O1)C=CC(=C2)NC(=O)CSC3=CC=CC=N3

InChI

InChI=1S/C15H14N2O3S/c18-14(10-21-15-3-1-2-6-16-15)17-11-4-5-12-13(9-11)20-8-7-19-12/h1-6,9H,7-8,10H2,(H,17,18)

InChIKey

PWJSLQXLZBRLLC-UHFFFAOYSA-N

Compound name

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridin-2-ylsulfanylacetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 9
References: 0
Patents: 302.0725 Da
Monoisotopic Mass: 2.3
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]+	303.079776	165.4
[M+Na]+	325.061718	171.5
[M-H]-	301.065224	172.2
[M+NH4]+	320.106323	177.1
[M+K]+	341.035658	169.6
[M+H-H2O]+	285.069760	156.8
[M+HCOO]-	347.070701	179.4
[M+CH3COO]-	361.086351	176.0
[M+Na-2H]-	323.047166	171.7
[M]+	302.07195142	167.1
[M]-	302.07304858	167.1

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.