CID 75803

2621-99-0

Structural Information

Molecular Formula

C₉H₁₀N₂O₃S

SMILES

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

InChI

InChI=1S/C9H10N2O3S/c1-2-9(12)11-7-3-5-8(6-4-7)15(10,13)14/h2-6H,1H2,(H,11,12)(H2,10,13,14)

InChIKey

RINSWHLCRAFXEY-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 2170
Patents: 226.04121 Da
Monoisotopic Mass: 0.6
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]+	227.048486	146.5
[M+Na]+	249.030428	154.0
[M-H]-	225.033934	149.9
[M+NH4]+	244.075033	164.0
[M+K]+	265.004368	150.3
[M+H-H2O]+	209.038470	140.2
[M+HCOO]-	271.039411	165.7
[M+CH3COO]-	285.055061	188.8
[M+Na-2H]-	247.015876	150.2
[M]+	226.04066142	146.5
[M]-	226.04175858	146.5

Literature stripe

literature stripe

Patent stripe

patents stripe