CID 20288639

62557-36-2

Structural Information

Molecular Formula

C₁₀H₁₀N₂S₂

SMILES

C1=CC=C(C=C1)CSC2=CN=C(S2)N

InChI

InChI=1S/C10H10N2S2/c11-10-12-6-9(14-10)13-7-8-4-2-1-3-5-8/h1-6H,7H2,(H2,11,12)

InChIKey

KJPMLOGHYCMCKF-UHFFFAOYSA-N

Compound name

5-benzylsulfanyl-1,3-thiazol-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 14
Patents: 222.02853 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]+	223.03581	143.2
[M+Na]+	245.01775	153.1
[M-H]-	221.02125	148.7
[M+NH4]+	240.06235	162.6
[M+K]+	260.99169	147.4
[M+H-H2O]+	205.02579	136.8
[M+HCOO]-	267.02673	158.3
[M+CH3COO]-	281.04238	156.2
[M+Na-2H]-	243.00320	144.4
[M]+	222.02798	144.4
[M]-	222.02908	144.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe