CID 13167989

1-methyl-4-(2-(2-methylphenylthio)benzoyl)piperazine hydrogen maleate

Structural Information

Molecular Formula
C19H22N2OS
SMILES
CC1=CC=CC=C1SC2=CC=CC=C2C(=O)N3CCN(CC3)C
InChI
InChI=1S/C19H22N2OS/c1-15-7-3-5-9-17(15)23-18-10-6-4-8-16(18)19(22)21-13-11-20(2)12-14-21/h3-10H,11-14H2,1-2H3
InChIKey
PEBJQTRLNPAPIY-UHFFFAOYSA-N
Compound name
[2-(2-methylphenyl)sulfanylphenyl]-(4-methylpiperazin-1-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

326.1453 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.15258 176.7
[M+Na]+ 349.13452 191.2
[M+NH4]+ 344.17912 185.3
[M+K]+ 365.10846 180.8
[M-H]- 325.13802 182.6
[M+Na-2H]- 347.11997 185.6
[M]+ 326.14475 181.0
[M]- 326.14585 181.0
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.