CID 3050126

4-hydroxy-n-(2-methylphenyl)-4-phenyl-1-piperidinecarbothioamide

Structural Information

Molecular Formula

C₁₉H₂₂N₂OS

SMILES

CC1=CC=CC=C1NC(=S)N2CCC(CC2)(C3=CC=CC=C3)O

InChI

InChI=1S/C19H22N2OS/c1-15-7-5-6-10-17(15)20-18(23)21-13-11-19(22,12-14-21)16-8-3-2-4-9-16/h2-10,22H,11-14H2,1H3,(H,20,23)

InChIKey

WQYWXYBRTAEXHP-UHFFFAOYSA-N

Compound name

4-hydroxy-N-(2-methylphenyl)-4-phenylpiperidine-1-carbothioamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 326.1453 Da
Monoisotopic Mass: 3.2
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]+	327.152576	176.4
[M+Na]+	349.134518	181.1
[M-H]-	325.138024	182.5
[M+NH4]+	344.179123	190.1
[M+K]+	365.108458	174.9
[M+H-H2O]+	309.142560	167.7
[M+HCOO]-	371.143501	188.9
[M+CH3COO]-	385.159151	185.3
[M+Na-2H]-	347.119966	177.9
[M]+	326.14475142	171.8
[M]-	326.14584858	171.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.