CID 9570434

2-((4-methyl-1-piperazinyl)imino)-4'-phenylthioacetophenone 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 178.8
[M+Na]+ 362.12975 192.2
[M+NH4]+ 357.17435 186.9
[M+K]+ 378.10369 181.7
[M-H]- 338.13325 185.1
[M+Na-2H]- 360.11520 188.2
[M]+ 339.13998 182.9
[M]- 339.14108 182.9
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.