CID 702572

1212-30-2

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]+	231.069896	147.3
[M+Na]+	253.051838	154.4
[M-H]-	229.055344	151.4
[M+NH4]+	248.096443	162.2
[M+K]+	269.025778	149.2
[M+H-H2O]+	213.059880	138.7
[M+HCOO]-	275.060821	166.3
[M+CH3COO]-	289.076471	158.8
[M+Na-2H]-	251.037286	154.2
[M]+	230.06207142	145.7
[M]-	230.06316858	145.7

Literature stripe

literature stripe

Patent stripe

patents stripe