CID 3050119

N,4-diphenyl-4-hydroxy-thio-1-piperidinecarboxamide

Structural Information

Molecular Formula
C18H20N2OS
SMILES
C1CN(CCC1(C2=CC=CC=C2)O)C(=S)NC3=CC=CC=C3
InChI
InChI=1S/C18H20N2OS/c21-18(15-7-3-1-4-8-15)11-13-20(14-12-18)17(22)19-16-9-5-2-6-10-16/h1-10,21H,11-14H2,(H,19,22)
InChIKey
YVNXYAIKAYYYBQ-UHFFFAOYSA-N
Compound name
4-hydroxy-N,4-diphenylpiperidine-1-carbothioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

312.12964 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.136916 172.2
[M+Na]+ 335.118858 176.4
[M-H]- 311.122364 178.1
[M+NH4]+ 330.163463 186.1
[M+K]+ 351.092798 170.4
[M+H-H2O]+ 295.126900 163.5
[M+HCOO]- 357.127841 185.0
[M+CH3COO]- 371.143491 181.1
[M+Na-2H]- 333.104306 174.8
[M]+ 312.12909142 166.8
[M]- 312.13018858 166.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.