CID 41960

2-(4-methyl-1-piperazinyl)-1-(4-(methylsulfonyl)phenyl)ethanone dimaleate

Structural Information

Molecular Formula
C14H20N2O3S
SMILES
CN1CCN(CC1)CC(=O)C2=CC=C(C=C2)S(=O)(=O)C
InChI
InChI=1S/C14H20N2O3S/c1-15-7-9-16(10-8-15)11-14(17)12-3-5-13(6-4-12)20(2,18)19/h3-6H,7-11H2,1-2H3
InChIKey
CYCUIDZHESIHLO-UHFFFAOYSA-N
Compound name
2-(4-methylpiperazin-1-yl)-1-(4-methylsulfonylphenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

296.11948 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.12676 167.2
[M+Na]+ 319.10870 173.3
[M-H]- 295.11220 170.6
[M+NH4]+ 314.15330 180.0
[M+K]+ 335.08264 169.6
[M+H-H2O]+ 279.11674 159.1
[M+HCOO]- 341.11768 178.2
[M+CH3COO]- 355.13333 199.5
[M+Na-2H]- 317.09415 167.9
[M]+ 296.11893 167.1
[M]- 296.12003 167.1
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.