CID 3007103

3770-46-5

Structural Information

Molecular Formula

C₁₁H₈N₄S

SMILES

C1=CC=C2C(=C1)C(=CC=N2)C3=NC(=S)NN3

InChI

InChI=1S/C11H8N4S/c16-11-13-10(14-15-11)8-5-6-12-9-4-2-1-3-7(8)9/h1-6H,(H2,13,14,15,16)

InChIKey

OXHJNEQUQRCQLW-UHFFFAOYSA-N

Compound name

5-quinolin-4-yl-1,2-dihydro-1,2,4-triazole-3-thione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 228.04697 Da
Monoisotopic Mass: 1.7
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]+	229.05425	146.5
[M+Na]+	251.03619	162.4
[M+NH4]+	246.08079	154.7
[M+K]+	267.01013	154.7
[M-H]-	227.03969	148.9
[M+Na-2H]-	249.02164	154.9
[M]+	228.04642	149.9
[M]-	228.04752	149.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe