CID 2763729

Ethyl 4-amino-3-methylthieno[2,3-c][1,2]thiazole-5-carboxylate

Structural Information

Molecular Formula

C₉H₁₀N₂O₂S₂

SMILES

CCOC(=O)C1=C(C2=C(SN=C2S1)C)N

InChI

InChI=1S/C9H10N2O2S2/c1-3-13-9(12)7-6(10)5-4(2)15-11-8(5)14-7/h3,10H2,1-2H3

InChIKey

WRIWXKCVJAGUIR-UHFFFAOYSA-N

Compound name

ethyl 4-amino-3-methylthieno[2,3-c][1,2]thiazole-5-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 242.01837 Da
Monoisotopic Mass: 3.2
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]+	243.025646	150.2
[M+Na]+	265.007588	162.4
[M-H]-	241.011094	154.7
[M+NH4]+	260.052193	172.3
[M+K]+	280.981528	158.7
[M+H-H2O]+	225.015630	145.9
[M+HCOO]-	287.016571	165.5
[M+CH3COO]-	301.032221	190.9
[M+Na-2H]-	262.993036	149.2
[M]+	242.01782142	157.2
[M]-	242.01891858	157.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.