CID 750538

39122-38-8

Structural Information

Molecular Formula

C₁₁H₉N₃S

SMILES

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

InChI

InChI=1S/C11H9N3S/c15-11(9-5-1-3-7-12-9)14-10-6-2-4-8-13-10/h1-8H,(H,13,14,15)

InChIKey

UGWOJXZJIZUKDP-UHFFFAOYSA-N

Compound name

N-pyridin-2-ylpyridine-2-carbothioamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 16
References: 69
Patents: 215.05171 Da
Monoisotopic Mass: 1.9
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]+	216.05899	144.1
[M+Na]+	238.04093	158.1
[M+NH4]+	233.08553	153.0
[M+K]+	254.01487	148.7
[M-H]-	214.04443	148.6
[M+Na-2H]-	236.02638	154.2
[M]+	215.05116	147.8
[M]-	215.05226	147.8

Literature stripe

literature stripe

Patent stripe

patents stripe