CID 25219685

24248-74-6

Structural Information

Molecular Formula

C₁₀H₁₃N₃O₂S

SMILES

CC(=O)N1CCC2=C(C1)SC(=C2C(=O)N)N

InChI

InChI=1S/C10H13N3O2S/c1-5(14)13-3-2-6-7(4-13)16-10(12)8(6)9(11)15/h2-4,12H2,1H3,(H2,11,15)

InChIKey

HVAWXSNOFJTABL-UHFFFAOYSA-N

Compound name

6-acetyl-2-amino-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 239.07285 Da
Monoisotopic Mass: 0.0
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]+	240.080126	151.6
[M+Na]+	262.062068	158.9
[M-H]-	238.065574	154.0
[M+NH4]+	257.106673	170.4
[M+K]+	278.036008	155.8
[M+H-H2O]+	222.070110	145.8
[M+HCOO]-	284.071051	166.5
[M+CH3COO]-	298.086701	194.7
[M+Na-2H]-	260.047516	150.2
[M]+	239.07230142	149.5
[M]-	239.07339858	149.5

Literature stripe

literature stripe

Patent stripe

patents stripe