CID 734377

3-amino-n-(4-ethoxyphenyl)-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide

Structural Information

Molecular Formula

C₁₈H₁₉N₃O₂S

SMILES

CCOC1=CC=C(C=C1)NC(=O)C2=C(C3=C(S2)N=C(C=C3C)C)N

InChI

InChI=1S/C18H19N3O2S/c1-4-23-13-7-5-12(6-8-13)21-17(22)16-15(19)14-10(2)9-11(3)20-18(14)24-16/h5-9H,4,19H2,1-3H3,(H,21,22)

InChIKey

YMEOUKHACVMFLV-UHFFFAOYSA-N

Compound name

3-amino-N-(4-ethoxyphenyl)-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 341.1198 Da
Monoisotopic Mass: 4.3
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]+	342.127076	179.5
[M+Na]+	364.109018	189.6
[M-H]-	340.112524	186.8
[M+NH4]+	359.153623	195.1
[M+K]+	380.082958	183.9
[M+H-H2O]+	324.117060	171.8
[M+HCOO]-	386.118001	199.1
[M+CH3COO]-	400.133651	216.3
[M+Na-2H]-	362.094466	180.1
[M]+	341.11925142	185.1
[M]-	341.12034858	185.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.