CID 3036260

2-quinolineethanethioamide

Structural Information

Molecular Formula

C₁₁H₁₀N₂S

SMILES

C1=CC=C2C(=C1)C=CC(=N2)CC(=S)N

InChI

InChI=1S/C11H10N2S/c12-11(14)7-9-6-5-8-3-1-2-4-10(8)13-9/h1-6H,7H2,(H2,12,14)

InChIKey

PODSWTXEDPFIJH-UHFFFAOYSA-N

Compound name

2-quinolin-2-ylethanethioamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 202.05647 Da
Monoisotopic Mass: 1.6
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]+	203.06375	140.9
[M+Na]+	225.04569	154.2
[M+NH4]+	220.09029	150.6
[M+K]+	241.01963	144.9
[M-H]-	201.04919	144.5
[M+Na-2H]-	223.03114	148.2
[M]+	202.05592	144.3
[M]-	202.05702	144.3

Literature stripe

literature stripe

Patent stripe

patents stripe