CID 607662

18431-25-9

Structural Information

Molecular Formula

C₁₀H₁₂N₂O₅S

SMILES

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC(=O)OC

InChI

InChI=1S/C10H12N2O5S/c1-7(13)11-8-3-5-9(6-4-8)18(15,16)12-10(14)17-2/h3-6H,1-2H3,(H,11,13)(H,12,14)

InChIKey

WYSQQGOTBXOTIB-UHFFFAOYSA-N

Compound name

methyl N-(4-acetamidophenyl)sulfonylcarbamate

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 0
References: 2
Patents: 272.0467 Da
Monoisotopic Mass: -0.4
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]+	273.05398	156.7
[M+Na]+	295.03592	163.1
[M-H]-	271.03942	160.5
[M+NH4]+	290.08052	172.5
[M+K]+	311.00986	161.4
[M+H-H2O]+	255.04396	149.9
[M+HCOO]-	317.04490	175.7
[M+CH3COO]-	331.06055	196.5
[M+Na-2H]-	293.02137	160.4
[M]+	272.04615	160.1
[M]-	272.04725	160.1

Literature stripe

literature stripe

Patent stripe

patents stripe