CID 3053185

2-methyl-3-(4-methyl-1-piperazinyl)-1-(4-(methylthio)phenyl)-1-propanone monohydrochloride

Structural Information

Molecular Formula
C16H24N2OS
SMILES
CC(CN1CCN(CC1)C)C(=O)C2=CC=C(C=C2)SC
InChI
InChI=1S/C16H24N2OS/c1-13(12-18-10-8-17(2)9-11-18)16(19)14-4-6-15(20-3)7-5-14/h4-7,13H,8-12H2,1-3H3
InChIKey
CQKYHKJZNUQJQQ-UHFFFAOYSA-N
Compound name
2-methyl-3-(4-methylpiperazin-1-yl)-1-(4-methylsulfanylphenyl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

292.16095 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.16823 169.3
[M+Na]+ 315.15017 180.7
[M+NH4]+ 310.19477 177.1
[M+K]+ 331.12411 172.1
[M-H]- 291.15367 172.2
[M+Na-2H]- 313.13562 174.6
[M]+ 292.16040 172.2
[M]- 292.16150 172.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.