CID 1545969

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

Structural Information

Molecular Formula

C₁₈H₁₇N₃O₂S₂

SMILES

CCOC1=CC=C(C=C1)NC(=O)C2=C(N(C(=S)S2)C3=CC=CC=C3)N

InChI

InChI=1S/C18H17N3O2S2/c1-2-23-14-10-8-12(9-11-14)20-17(22)15-16(19)21(18(24)25-15)13-6-4-3-5-7-13/h3-11H,2,19H2,1H3,(H,20,22)

InChIKey

XSCFDOSMKUELCR-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 371.07623 Da
Monoisotopic Mass: 4.1
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]+	372.083506	184.0
[M+Na]+	394.065448	192.7
[M-H]-	370.068954	192.4
[M+NH4]+	389.110053	196.8
[M+K]+	410.039388	184.9
[M+H-H2O]+	354.073490	176.0
[M+HCOO]-	416.074431	198.5
[M+CH3COO]-	430.090081	194.1
[M+Na-2H]-	392.050896	182.5
[M]+	371.07568142	186.5
[M]-	371.07677858	186.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.