CID 2759531

383131-95-1

Structural Information

Molecular Formula

C₁₀H₁₀N₂O₂S₂

SMILES

CS(=O)(=O)C1=CC=C(C=C1)C2=CSC(=N2)N

InChI

InChI=1S/C10H10N2O2S2/c1-16(13,14)8-4-2-7(3-5-8)9-6-15-10(11)12-9/h2-6H,1H3,(H2,11,12)

InChIKey

VQEMDSRIOVZAOM-UHFFFAOYSA-N

Compound name

4-(4-methylsulfonylphenyl)-1,3-thiazol-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 667
Patents: 254.01837 Da
Monoisotopic Mass: 1.5
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]+	255.02565	154.0
[M+Na]+	277.00759	164.7
[M-H]-	253.01109	159.8
[M+NH4]+	272.05219	172.0
[M+K]+	292.98153	159.2
[M+H-H2O]+	237.01563	147.9
[M+HCOO]-	299.01657	168.1
[M+CH3COO]-	313.03222	190.4
[M+Na-2H]-	274.99304	155.4
[M]+	254.01782	156.2
[M]-	254.01892	156.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe