CID 9570434

Acetophenone, 2-((4-methyl-1-piperazinyl)imino)-4'-phenylthio-, hydrochloride

Structural Information

Molecular Formula
C19H21N3OS
SMILES
CN1CCN(CC1)/N=C/C(=O)C2=CC=C(C=C2)SC3=CC=CC=C3
InChI
InChI=1S/C19H21N3OS/c1-21-11-13-22(14-12-21)20-15-19(23)16-7-9-18(10-8-16)24-17-5-3-2-4-6-17/h2-10,15H,11-14H2,1H3/b20-15+
InChIKey
RKJSESIOTVQQTN-HMMYKYKNSA-N
Compound name
(2E)-2-(4-methylpiperazin-1-yl)imino-1-(4-phenylsulfanylphenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

339.14053 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.147806 179.9
[M+Na]+ 362.129748 184.7
[M-H]- 338.133254 187.0
[M+NH4]+ 357.174353 190.9
[M+K]+ 378.103688 178.8
[M+H-H2O]+ 322.137790 169.2
[M+HCOO]- 384.138731 194.2
[M+CH3COO]- 398.154381 188.9
[M+Na-2H]- 360.115196 180.8
[M]+ 339.13998142 178.2
[M]- 339.14107858 178.2
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.