CID 866381

4-amino-3-(4-ethoxyphenyl)-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxamide

Structural Information

Molecular Formula

C₁₂H₁₃N₃O₂S₂

SMILES

CCOC1=CC=C(C=C1)N2C(=C(SC2=S)C(=O)N)N

InChI

InChI=1S/C12H13N3O2S2/c1-2-17-8-5-3-7(4-6-8)15-10(13)9(11(14)16)19-12(15)18/h3-6H,2,13H2,1H3,(H2,14,16)

InChIKey

IBZIJBIBHFDFFQ-UHFFFAOYSA-N

Compound name

4-amino-3-(4-ethoxyphenyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 295.04492 Da
Monoisotopic Mass: 2.1
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]+	296.052196	163.3
[M+Na]+	318.034138	172.9
[M-H]-	294.037644	168.4
[M+NH4]+	313.078743	179.1
[M+K]+	334.008078	166.4
[M+H-H2O]+	278.042180	156.4
[M+HCOO]-	340.043121	177.2
[M+CH3COO]-	354.058771	203.6
[M+Na-2H]-	316.019586	160.7
[M]+	295.04437142	165.1
[M]-	295.04546858	165.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.