CID 145867349

2-methyl-1-(4-methylpiperazin-1-yl)-3-(methylsulfanyl)propan-1-one

Structural Information

Molecular Formula
C10H20N2OS
SMILES
CC(CSC)C(=O)N1CCN(CC1)C
InChI
InChI=1S/C10H20N2OS/c1-9(8-14-3)10(13)12-6-4-11(2)5-7-12/h9H,4-8H2,1-3H3
InChIKey
IIUWPGZIQGBIOW-UHFFFAOYSA-N
Compound name
2-methyl-1-(4-methylpiperazin-1-yl)-3-methylsulfanylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

216.12964 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.13692 151.1
[M+Na]+ 239.11886 160.3
[M+NH4]+ 234.16346 158.5
[M+K]+ 255.09280 153.2
[M-H]- 215.12236 151.3
[M+Na-2H]- 237.10431 153.6
[M]+ 216.12909 152.6
[M]- 216.13019 152.6
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.