CID 3245795

618072-06-3

Structural Information

Molecular Formula

C₁₁H₁₃N₃O₂S₂

SMILES

CCN1C(=C(SC1=S)C(=O)NCC2=CC=CO2)N

InChI

InChI=1S/C11H13N3O2S2/c1-2-14-9(12)8(18-11(14)17)10(15)13-6-7-4-3-5-16-7/h3-5H,2,6,12H2,1H3,(H,13,15)

InChIKey

KNPAWBTZPKGZAA-UHFFFAOYSA-N

Compound name

4-amino-3-ethyl-N-(furan-2-ylmethyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 0
Patents: 283.04492 Da
Monoisotopic Mass: 1.6
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]+	284.052196	162.3
[M+Na]+	306.034138	173.2
[M-H]-	282.037644	169.5
[M+NH4]+	301.078743	179.8
[M+K]+	322.008078	168.7
[M+H-H2O]+	266.042180	156.3
[M+HCOO]-	328.043121	178.9
[M+CH3COO]-	342.058771	199.3
[M+Na-2H]-	304.019586	160.7
[M]+	283.04437142	167.2
[M]-	283.04546858	167.2

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.