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]+ 340.14781 179.9
[M+Na]+ 362.12975 184.7
[M-H]- 338.13325 187.0
[M+NH4]+ 357.17435 190.9
[M+K]+ 378.10369 178.8
[M+H-H2O]+ 322.13779 169.2
[M+HCOO]- 384.13873 194.2
[M+CH3COO]- 398.15438 188.9
[M+Na-2H]- 360.11520 180.8
[M]+ 339.13998 178.2
[M]- 339.14108 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.