CID 702572

Di-2-pyridylthiourea

Structural Information

Molecular Formula

C₁₁H₁₀N₄S

SMILES

C1=CC=NC(=C1)NC(=S)NC2=CC=CC=N2

InChI

InChI=1S/C11H10N4S/c16-11(14-9-5-1-3-7-12-9)15-10-6-2-4-8-13-10/h1-8H,(H2,12,13,14,15,16)

InChIKey

VADXORVZZWERFF-UHFFFAOYSA-N

Compound name

1,3-dipyridin-2-ylthiourea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 17
Patents: 230.06262 Da
Monoisotopic Mass: 1.6
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]+	231.06990	147.4
[M+Na]+	253.05184	160.1
[M+NH4]+	248.09644	155.8
[M+K]+	269.02578	151.2
[M-H]-	229.05534	152.1
[M+Na-2H]-	251.03729	157.3
[M]+	230.06207	150.9
[M]-	230.06317	150.9

Literature stripe

literature stripe

Patent stripe

patents stripe