CID 3050124

65846-27-7

Structural Information

Molecular Formula
C18H19ClN2OS
SMILES
C1CN(CCC1(C2=CC=CC=C2)O)C(=S)NC3=CC=C(C=C3)Cl
InChI
InChI=1S/C18H19ClN2OS/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
VHMKMHMOVDJURA-UHFFFAOYSA-N
Compound name
N-(4-chlorophenyl)-4-hydroxy-4-phenylpiperidine-1-carbothioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

346.09067 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.09795 177.8
[M+Na]+ 369.07989 191.5
[M+NH4]+ 364.12449 188.1
[M+K]+ 385.05383 179.1
[M-H]- 345.08339 184.1
[M+Na-2H]- 367.06534 188.5
[M]+ 346.09012 182.5
[M]- 346.09122 182.5
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.