CID 2554559

105512-85-4

Structural Information

Molecular Formula

C₁₀H₁₀N₂S₂

SMILES

CSC1=CC=C(C=C1)C2=CSC(=N2)N

InChI

InChI=1S/C10H10N2S2/c1-13-8-4-2-7(3-5-8)9-6-14-10(11)12-9/h2-6H,1H3,(H2,11,12)

InChIKey

YSUNRHCYOWYXOJ-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 30
Patents: 222.02853 Da
Monoisotopic Mass: 3.1
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]+	223.03581	143.4
[M+Na]+	245.01775	154.0
[M-H]-	221.02125	149.2
[M+NH4]+	240.06235	163.1
[M+K]+	260.99169	148.4
[M+H-H2O]+	205.02579	137.3
[M+HCOO]-	267.02673	158.4
[M+CH3COO]-	281.04238	156.7
[M+Na-2H]-	243.00320	143.9
[M]+	222.02798	145.0
[M]-	222.02908	145.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe