CID 3050123

1-piperidinecarboxanilide, 4'-ethoxy-4-hydroxy-4-phenyl-thio-

Structural Information

Molecular Formula
C20H24N2O2S
SMILES
CCOC1=CC=C(C=C1)NC(=S)N2CCC(CC2)(C3=CC=CC=C3)O
InChI
InChI=1S/C20H24N2O2S/c1-2-24-18-10-8-17(9-11-18)21-19(25)22-14-12-20(23,13-15-22)16-6-4-3-5-7-16/h3-11,23H,2,12-15H2,1H3,(H,21,25)
InChIKey
SSYCFVCHSYWEPK-UHFFFAOYSA-N
Compound name
N-(4-ethoxyphenyl)-4-hydroxy-4-phenylpiperidine-1-carbothioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

356.15585 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.163126 183.9
[M+Na]+ 379.145068 187.8
[M-H]- 355.148574 189.7
[M+NH4]+ 374.189673 196.2
[M+K]+ 395.119008 182.1
[M+H-H2O]+ 339.153110 174.8
[M+HCOO]- 401.154051 196.2
[M+CH3COO]- 415.169701 192.1
[M+Na-2H]- 377.130516 185.1
[M]+ 356.15530142 181.0
[M]- 356.15639858 181.0
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.