CID 4736955

610275-82-6

Structural Information

Molecular Formula

C₁₁H₁₃N₃O₂S₂

SMILES

CN(C)S(=O)(=O)C1=CC=C(C=C1)C2=CSC(=N2)N

InChI

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

InChIKey

RPFPJUZFZBAAPP-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 283.04492 Da
Monoisotopic Mass: 1.4
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]+	284.052196	161.7
[M+Na]+	306.034138	171.0
[M-H]-	282.037644	168.6
[M+NH4]+	301.078743	178.7
[M+K]+	322.008078	166.5
[M+H-H2O]+	266.042180	154.7
[M+HCOO]-	328.043121	176.7
[M+CH3COO]-	342.058771	201.5
[M+Na-2H]-	304.019586	163.0
[M]+	283.04437142	164.7
[M]-	283.04546858	164.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe