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 179.8
[M+Na]+ 365.12942 184.2
[M-H]- 341.13292 185.8
[M+NH4]+ 360.17402 192.7
[M+K]+ 381.10336 178.6
[M+H-H2O]+ 325.13746 170.9
[M+HCOO]- 387.13840 192.4
[M+CH3COO]- 401.15405 188.4
[M+Na-2H]- 363.11487 181.4
[M]+ 342.13965 176.6
[M]- 342.14075 176.6
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.