CID 686562

7157-91-7

Structural Information

Molecular Formula

C₇H₉N₃OS₂

SMILES

C=CCN1C(=C(SC1=S)C(=O)N)N

InChI

InChI=1S/C7H9N3OS2/c1-2-3-10-5(8)4(6(9)11)13-7(10)12/h2H,1,3,8H2,(H2,9,11)

InChIKey

RCNAPOFQSALVID-UHFFFAOYSA-N

Compound name

4-amino-3-prop-2-enyl-2-sulfanylidene-1,3-thiazole-5-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 4
References: 0
Patents: 215.0187 Da
Monoisotopic Mass: 0.9
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]+	216.02598	146.9
[M+Na]+	238.00792	154.6
[M+NH4]+	233.05252	153.7
[M+K]+	253.98186	148.4
[M-H]-	214.01142	147.5
[M+Na-2H]-	235.99337	148.3
[M]+	215.01815	148.6
[M]-	215.01925	148.6

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.