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 183.9
[M+Na]+ 379.14507 187.8
[M-H]- 355.14857 189.7
[M+NH4]+ 374.18967 196.2
[M+K]+ 395.11901 182.1
[M+H-H2O]+ 339.15311 174.8
[M+HCOO]- 401.15405 196.2
[M+CH3COO]- 415.16970 192.1
[M+Na-2H]- 377.13052 185.1
[M]+ 356.15530 181.0
[M]- 356.15640 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.