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 177.5
[M+Na]+ 369.07989 183.3
[M-H]- 345.08339 183.7
[M+NH4]+ 364.12449 191.3
[M+K]+ 385.05383 175.9
[M+H-H2O]+ 329.08793 169.8
[M+HCOO]- 391.08887 185.9
[M+CH3COO]- 405.10452 186.4
[M+Na-2H]- 367.06534 179.1
[M]+ 346.09012 174.8
[M]- 346.09122 174.8
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.