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]+ 313.13692 172.2
[M+Na]+ 335.11886 176.4
[M-H]- 311.12236 178.1
[M+NH4]+ 330.16346 186.1
[M+K]+ 351.09280 170.4
[M+H-H2O]+ 295.12690 163.5
[M+HCOO]- 357.12784 185.0
[M+CH3COO]- 371.14349 181.1
[M+Na-2H]- 333.10431 174.8
[M]+ 312.12909 166.8
[M]- 312.13019 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.