CID 2346917

380442-79-5

Structural Information

Molecular Formula

C₁₂H₁₂N₂O₂S₂

SMILES

CCOC(=O)C1=C(SN(C1=S)C2=CC=CC=C2)N

InChI

InChI=1S/C12H12N2O2S2/c1-2-16-12(15)9-10(13)18-14(11(9)17)8-6-4-3-5-7-8/h3-7H,2,13H2,1H3

InChIKey

VOCCWGKPJJSHJG-UHFFFAOYSA-N

Compound name

ethyl 5-amino-2-phenyl-3-sulfanylidene-1,2-thiazole-4-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 8
References: 0
Patents: 280.03403 Da
Monoisotopic Mass: 2.7
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]+	281.041306	160.1
[M+Na]+	303.023248	170.1
[M-H]-	279.026754	165.8
[M+NH4]+	298.067853	177.2
[M+K]+	318.997188	164.3
[M+H-H2O]+	263.031290	153.6
[M+HCOO]-	325.032231	174.0
[M+CH3COO]-	339.047881	197.2
[M+Na-2H]-	301.008696	158.3
[M]+	280.03348142	163.3
[M]-	280.03457858	163.3

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.