CID 16246

N-piperidinylthiosalicylamide

Structural Information

Molecular Formula

C₁₂H₁₅NOS

SMILES

C1CCN(CC1)C(=S)C2=CC=CC=C2O

InChI

InChI=1S/C12H15NOS/c14-11-7-3-2-6-10(11)12(15)13-8-4-1-5-9-13/h2-3,6-7,14H,1,4-5,8-9H2

InChIKey

FDEJXMBAYGPUFC-UHFFFAOYSA-N

Compound name

(2-hydroxyphenyl)-piperidin-1-ylmethanethione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 0
Patents: 221.08743 Da
Monoisotopic Mass: 2.5
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]+	222.09471	148.4
[M+Na]+	244.07665	160.3
[M+NH4]+	239.12125	157.5
[M+K]+	260.05059	151.7
[M-H]-	220.08015	152.0
[M+Na-2H]-	242.06210	155.1
[M]+	221.08688	151.5
[M]-	221.08798	151.5

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.