CID 11687376

Jnj-26990990

Structural Information

Molecular Formula

C₉H₁₀N₂O₂S₂

SMILES

C1=CC=C2C(=C1)C(=CS2)CNS(=O)(=O)N

InChI

InChI=1S/C9H10N2O2S2/c10-15(12,13)11-5-7-6-14-9-4-2-1-3-8(7)9/h1-4,6,11H,5H2,(H2,10,12,13)

InChIKey

AWSKBQNOSRREEY-UHFFFAOYSA-N

Compound name

3-[(sulfamoylamino)methyl]-1-benzothiophene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 4
References: 57
Patents: 242.01837 Da
Monoisotopic Mass: 1.2
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]+	243.02565	148.8
[M+Na]+	265.00759	158.4
[M+NH4]+	260.05219	157.3
[M+K]+	280.98153	151.2
[M-H]-	241.01109	151.0
[M+Na-2H]-	262.99304	153.8
[M]+	242.01782	151.5
[M]-	242.01892	151.5

Literature stripe

literature stripe

Patent stripe

patents stripe