CID 3050122

1-piperidinecarboxanilide, 2'-ethoxy-4-hydroxy-4-phenyl-thio-

Structural Information

Molecular Formula
C20H24N2O2S
SMILES
CCOC1=CC=CC=C1NC(=S)N2CCC(CC2)(C3=CC=CC=C3)O
InChI
InChI=1S/C20H24N2O2S/c1-2-24-18-11-7-6-10-17(18)21-19(25)22-14-12-20(23,13-15-22)16-8-4-3-5-9-16/h3-11,23H,2,12-15H2,1H3,(H,21,25)
InChIKey
LNGDQBDJVNVIHP-UHFFFAOYSA-N
Compound name
N-(2-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]+ 357.16313 183.1
[M+Na]+ 379.14507 195.0
[M+NH4]+ 374.18967 192.3
[M+K]+ 395.11901 183.6
[M-H]- 355.14857 188.9
[M+Na-2H]- 377.13052 192.9
[M]+ 356.15530 187.0
[M]- 356.15640 187.0
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.