CID 641875

10136-64-8

Structural Information

Molecular Formula

C₁₀H₈N₄S

SMILES

C1=CC=C(C=C1)C2=CN3C(=N2)SC(=N3)N

InChI

InChI=1S/C10H8N4S/c11-9-13-14-6-8(12-10(14)15-9)7-4-2-1-3-5-7/h1-6H,(H2,11,13)

InChIKey

URINLJMMDZLYSE-UHFFFAOYSA-N

Compound name

6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 216.04697 Da
Monoisotopic Mass: 2.2
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]+	217.05425	142.4
[M+Na]+	239.03619	156.1
[M+NH4]+	234.08079	151.6
[M+K]+	255.01013	151.0
[M-H]-	215.03969	146.0
[M+Na-2H]-	237.02164	150.3
[M]+	216.04642	145.8
[M]-	216.04752	145.8

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.