CID 9570416

Acetophenone, 4'-phenylthio-2-(piperidinoimino)-

Structural Information

Molecular Formula
C19H20N2OS
SMILES
C1CCN(CC1)/N=C/C(=O)C2=CC=C(C=C2)SC3=CC=CC=C3
InChI
InChI=1S/C19H20N2OS/c22-19(15-20-21-13-5-2-6-14-21)16-9-11-18(12-10-16)23-17-7-3-1-4-8-17/h1,3-4,7-12,15H,2,5-6,13-14H2/b20-15+
InChIKey
YPWRHVFSFBFBKF-HMMYKYKNSA-N
Compound name
(2E)-1-(4-phenylsulfanylphenyl)-2-piperidin-1-yliminoethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

324.12964 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.136916 175.6
[M+Na]+ 347.118858 179.5
[M-H]- 323.122364 183.7
[M+NH4]+ 342.163463 188.2
[M+K]+ 363.092798 173.9
[M+H-H2O]+ 307.126900 165.5
[M+HCOO]- 369.127841 191.2
[M+CH3COO]- 383.143491 185.0
[M+Na-2H]- 345.104306 177.1
[M]+ 324.12909142 173.0
[M]- 324.13018858 173.0
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.