CID 736378

Cbmicro_015714

Structural Information

Molecular Formula

C₁₆H₁₆N₂O₅S

SMILES

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C16H16N2O5S/c1-11(19)17-12-2-5-14(6-3-12)24(20,21)18-13-4-7-15-16(10-13)23-9-8-22-15/h2-7,10,18H,8-9H2,1H3,(H,17,19)

InChIKey

WCTKCLAEBREPFG-UHFFFAOYSA-N

Compound name

N-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfamoyl)phenyl]acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 9
References: 4
Patents: 348.078 Da
Monoisotopic Mass: 1.3
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]+	349.085276	175.7
[M+Na]+	371.067218	181.5
[M-H]-	347.070724	184.1
[M+NH4]+	366.111823	186.4
[M+K]+	387.041158	180.3
[M+H-H2O]+	331.075260	167.7
[M+HCOO]-	393.076201	190.6
[M+CH3COO]-	407.091851	212.3
[M+Na-2H]-	369.052666	183.2
[M]+	348.07745142	178.0
[M]-	348.07854858	178.0

Literature stripe

literature stripe

Patent stripe

patents stripe