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]+ 325.13692 175.6
[M+Na]+ 347.11886 179.5
[M-H]- 323.12236 183.7
[M+NH4]+ 342.16346 188.2
[M+K]+ 363.09280 173.9
[M+H-H2O]+ 307.12690 165.5
[M+HCOO]- 369.12784 191.2
[M+CH3COO]- 383.14349 185.0
[M+Na-2H]- 345.10431 177.1
[M]+ 324.12909 173.0
[M]- 324.13019 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.