CID 176886

Mesulfamide

Structural Information

Molecular Formula

C₇H₁₀N₂O₅S₂

SMILES

C1=CC(=CC=C1NCS(=O)(=O)O)S(=O)(=O)N

InChI

InChI=1S/C7H10N2O5S2/c8-16(13,14)7-3-1-6(2-4-7)9-5-15(10,11)12/h1-4,9H,5H2,(H2,8,13,14)(H,10,11,12)

InChIKey

AXUWLXLMZKNGIO-UHFFFAOYSA-N

Compound name

(4-sulfamoylanilino)methanesulfonic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 40
Patents: 266.0031 Da
Monoisotopic Mass: -0.5
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]+	267.01038	153.5
[M+Na]+	288.99232	160.5
[M-H]-	264.99582	154.6
[M+NH4]+	284.03692	168.1
[M+K]+	304.96626	155.4
[M+H-H2O]+	249.00036	147.1
[M+HCOO]-	311.00130	165.6
[M+CH3COO]-	325.01695	190.1
[M+Na-2H]-	286.97777	158.5
[M]+	266.00255	154.1
[M]-	266.00365	154.1

Literature stripe

literature stripe

Patent stripe

patents stripe