CID 3050121

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

Structural Information

Molecular Formula
C19H22N2O2S
SMILES
COC1=CC=C(C=C1)NC(=S)N2CCC(CC2)(C3=CC=CC=C3)O
InChI
InChI=1S/C19H22N2O2S/c1-23-17-9-7-16(8-10-17)20-18(24)21-13-11-19(22,12-14-21)15-5-3-2-4-6-15/h2-10,22H,11-14H2,1H3,(H,20,24)
InChIKey
BDWWJXXNDKPUKE-UHFFFAOYSA-N
Compound name
4-hydroxy-N-(4-methoxyphenyl)-4-phenylpiperidine-1-carbothioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

342.1402 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.14748 178.8
[M+Na]+ 365.12942 191.0
[M+NH4]+ 360.17402 188.2
[M+K]+ 381.10336 179.8
[M-H]- 341.13292 184.6
[M+Na-2H]- 363.11487 188.9
[M]+ 342.13965 182.8
[M]- 342.14075 182.8
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.