CID 69860875

1989671-89-7

Structural Information

Molecular Formula

C₇H₁₀N₂O₂S₂

SMILES

C1CNCC2=C1SC(=C2)S(=O)(=O)N

InChI

InChI=1S/C7H10N2O2S2/c8-13(10,11)7-3-5-4-9-2-1-6(5)12-7/h3,9H,1-2,4H2,(H2,8,10,11)

InChIKey

OUHBIFZHOYFPCK-UHFFFAOYSA-N

Compound name

4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-sulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 218.01837 Da
Monoisotopic Mass: -0.1
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]+	219.02565	142.7
[M+Na]+	241.00759	150.6
[M+NH4]+	236.05219	150.8
[M+K]+	256.98153	144.6
[M-H]-	217.01109	142.9
[M+Na-2H]-	238.99304	144.9
[M]+	218.01782	144.5
[M]-	218.01892	144.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe