CID 453080

122664-10-2

Structural Information

Molecular Formula

C₁₃H₁₀N₂S

SMILES

C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=CS3)N

InChI

InChI=1S/C13H10N2S/c14-10-8-12(13-6-3-7-16-13)15-11-5-2-1-4-9(10)11/h1-8H,(H2,14,15)

InChIKey

UUSGLQSMBGQHMR-UHFFFAOYSA-N

Compound name

2-thiophen-2-ylquinolin-4-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 3
Patents: 226.05647 Da
Monoisotopic Mass: 2.9
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]+	227.06375	145.7
[M+Na]+	249.04569	157.2
[M-H]-	225.04919	152.9
[M+NH4]+	244.09029	166.0
[M+K]+	265.01963	151.4
[M+H-H2O]+	209.05373	139.1
[M+HCOO]-	271.05467	166.8
[M+CH3COO]-	285.07032	159.8
[M+Na-2H]-	247.03114	151.0
[M]+	226.05592	147.8
[M]-	226.05702	147.8

Literature stripe

literature stripe

Patent stripe

patents stripe