CID 112988

Sulfaethylthiazole sodium

Structural Information

Molecular Formula

C₁₁H₁₃N₃O₂S₂

SMILES

CCC1=CSC(=N1)NS(=O)(=O)C2=CC=C(C=C2)N

InChI

InChI=1S/C11H13N3O2S2/c1-2-9-7-17-11(13-9)14-18(15,16)10-5-3-8(12)4-6-10/h3-7H,2,12H2,1H3,(H,13,14)

InChIKey

WGZBALROKIHKHZ-UHFFFAOYSA-N

Compound name

4-amino-N-(4-ethyl-1,3-thiazol-2-yl)benzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 283.04492 Da
Monoisotopic Mass: 2.0
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]+	284.052196	160.9
[M+Na]+	306.034138	170.1
[M-H]-	282.037644	166.3
[M+NH4]+	301.078743	177.3
[M+K]+	322.008078	164.1
[M+H-H2O]+	266.042180	154.1
[M+HCOO]-	328.043121	175.6
[M+CH3COO]-	342.058771	198.3
[M+Na-2H]-	304.019586	162.9
[M]+	283.04437142	162.6
[M]-	283.04546858	162.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe