CID 2739888

Maybridge3_006397

Structural Information

Molecular Formula

C₁₆H₂₄N₂O₄S₄

SMILES

CCN(CC)S(=O)(=O)C1=CC=C(S1)C2=CC=C(S2)S(=O)(=O)N(CC)CC

InChI

InChI=1S/C16H24N2O4S4/c1-5-17(6-2)25(19,20)15-11-9-13(23-15)14-10-12-16(24-14)26(21,22)18(7-3)8-4/h9-12H,5-8H2,1-4H3

InChIKey

DQKXSNSENLQSRW-UHFFFAOYSA-N

Compound name

5-[5-(diethylsulfamoyl)thiophen-2-yl]-N,N-diethylthiophene-2-sulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 0
Patents: 436.0619 Da
Monoisotopic Mass: 3.4
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]+	437.069176	211.2
[M+Na]+	459.051118	218.4
[M-H]-	435.054624	218.0
[M+NH4]+	454.095723	224.5
[M+K]+	475.025058	211.4
[M+H-H2O]+	419.059160	204.5
[M+HCOO]-	481.060101	215.7
[M+CH3COO]-	495.075751	228.7
[M+Na-2H]-	457.036566	211.3
[M]+	436.06135142	217.3
[M]-	436.06244858	217.3

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.