CID 12578651

2-methyl-5-sulfamoylbenzamide

Structural Information

Molecular Formula

C₈H₁₀N₂O₃S

SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N)C(=O)N

InChI

InChI=1S/C8H10N2O3S/c1-5-2-3-6(14(10,12)13)4-7(5)8(9)11/h2-4H,1H3,(H2,9,11)(H2,10,12,13)

InChIKey

BZWIKRDSKCFXPT-UHFFFAOYSA-N

Compound name

2-methyl-5-sulfamoylbenzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 214.04121 Da
Monoisotopic Mass: -0.3
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]+	215.04849	144.5
[M+Na]+	237.03043	153.5
[M+NH4]+	232.07503	150.8
[M+K]+	253.00437	148.6
[M-H]-	213.03393	145.1
[M+Na-2H]-	235.01588	148.4
[M]+	214.04066	146.0
[M]-	214.04176	146.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe