CID 350062

56992-87-1

Structural Information

Molecular Formula

C₁₀H₁₂N₂O₃S

SMILES

CC(=C)C(=O)NC1=CC=C(C=C1)S(=O)(=O)N

InChI

InChI=1S/C10H12N2O3S/c1-7(2)10(13)12-8-3-5-9(6-4-8)16(11,14)15/h3-6H,1H2,2H3,(H,12,13)(H2,11,14,15)

InChIKey

NQRAOOGLFRBSHM-UHFFFAOYSA-N

Compound name

2-methyl-N-(4-sulfamoylphenyl)prop-2-enamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2973
Patents: 240.05687 Da
Monoisotopic Mass: 1.0
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]+	241.064146	150.9
[M+Na]+	263.046088	157.6
[M-H]-	239.049594	154.2
[M+NH4]+	258.090693	167.8
[M+K]+	279.020028	154.3
[M+H-H2O]+	223.054130	144.5
[M+HCOO]-	285.055071	168.7
[M+CH3COO]-	299.070721	192.8
[M+Na-2H]-	261.031536	153.0
[M]+	240.05632142	150.6
[M]-	240.05741858	150.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe