CID 44235406

3-ap-me

Structural Information

Molecular Formula

C₉H₁₃N₅S

SMILES

CN(C)C(=S)N/N=C/C1=C(C=CC=N1)N

InChI

InChI=1S/C9H13N5S/c1-14(2)9(15)13-12-6-8-7(10)4-3-5-11-8/h3-6H,10H2,1-2H3,(H,13,15)/b12-6+

InChIKey

DQVSEUUIXQTWRB-WUXMJOGZSA-N

Compound name

3-[(E)-(3-aminopyridin-2-yl)methylideneamino]-1,1-dimethylthiourea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 223.08917 Da
Monoisotopic Mass: 0.4
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]+	224.09645	149.1
[M+Na]+	246.07839	157.5
[M+NH4]+	241.12299	156.4
[M+K]+	262.05233	150.7
[M-H]-	222.08189	152.7
[M+Na-2H]-	244.06384	155.0
[M]+	223.08862	151.3
[M]-	223.08972	151.3

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.