CID 3050125

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

Structural Information

Molecular Formula
C18H19BrN2OS
SMILES
C1CN(CCC1(C2=CC=CC=C2)O)C(=S)NC3=CC=C(C=C3)Br
InChI
InChI=1S/C18H19BrN2OS/c19-15-6-8-16(9-7-15)20-17(23)21-12-10-18(22,11-13-21)14-4-2-1-3-5-14/h1-9,22H,10-13H2,(H,20,23)
InChIKey
NPNFETKZSDMWMJ-UHFFFAOYSA-N
Compound name
N-(4-bromophenyl)-4-hydroxy-4-phenylpiperidine-1-carbothioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

390.04016 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.04744 168.7
[M+Na]+ 413.02938 171.9
[M+NH4]+ 408.07398 174.9
[M+K]+ 429.00332 167.9
[M-H]- 389.03288 172.9
[M+Na-2H]- 411.01483 176.0
[M]+ 390.03961 169.7
[M]- 390.04071 169.7
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.