CID 1541584

Ethyl 3-amino-6-(4-methylphenyl)thieno[2,3-b]pyridine-2-carboxylate

Structural Information

Molecular Formula

C₁₇H₁₆N₂O₂S

SMILES

CCOC(=O)C1=C(C2=C(S1)N=C(C=C2)C3=CC=C(C=C3)C)N

InChI

InChI=1S/C17H16N2O2S/c1-3-21-17(20)15-14(18)12-8-9-13(19-16(12)22-15)11-6-4-10(2)5-7-11/h4-9H,3,18H2,1-2H3

InChIKey

DHIUIYBLQZBPOE-UHFFFAOYSA-N

Compound name

ethyl 3-amino-6-(4-methylphenyl)thieno[2,3-b]pyridine-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 312.09326 Da
Monoisotopic Mass: 4.7
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]+	313.100536	171.7
[M+Na]+	335.082478	182.4
[M-H]-	311.085984	179.0
[M+NH4]+	330.127083	188.6
[M+K]+	351.056418	177.0
[M+H-H2O]+	295.090520	164.5
[M+HCOO]-	357.091461	190.8
[M+CH3COO]-	371.107111	184.0
[M+Na-2H]-	333.067926	172.7
[M]+	312.09271142	177.3
[M]-	312.09380858	177.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.