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 173.4
[M+Na]+ 413.02938 181.4
[M-H]- 389.03288 181.9
[M+NH4]+ 408.07398 188.6
[M+K]+ 429.00332 167.6
[M+H-H2O]+ 373.03742 172.1
[M+HCOO]- 435.03836 184.5
[M+CH3COO]- 449.05401 184.4
[M+Na-2H]- 411.01483 177.3
[M]+ 390.03961 187.8
[M]- 390.04071 187.8
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.