CID 2795581

215434-26-7

Structural Information

Molecular Formula

C₁₂H₁₆N₂O₂S₃

SMILES

CCN(CC)S(=O)(=O)C1=CC=C(S1)C2=CSC(=N2)C

InChI

InChI=1S/C12H16N2O2S3/c1-4-14(5-2)19(15,16)12-7-6-11(18-12)10-8-17-9(3)13-10/h6-8H,4-5H2,1-3H3

InChIKey

HVRFPORBSGWKPR-UHFFFAOYSA-N

Compound name

N,N-diethyl-5-(2-methyl-1,3-thiazol-4-yl)thiophene-2-sulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 0
Patents: 316.03738 Da
Monoisotopic Mass: 2.9
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]+	317.044656	173.4
[M+Na]+	339.026598	184.6
[M-H]-	315.030104	180.9
[M+NH4]+	334.071203	191.8
[M+K]+	355.000538	179.4
[M+H-H2O]+	299.034640	167.8
[M+HCOO]-	361.035581	184.3
[M+CH3COO]-	375.051231	205.1
[M+Na-2H]-	337.012046	171.8
[M]+	316.03683142	180.4
[M]-	316.03792858	180.4

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.