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 169.1
[M+Na]+ 315.15017 173.6
[M-H]- 291.15367 172.0
[M+NH4]+ 310.19477 182.2
[M+K]+ 331.12411 169.6
[M+H-H2O]+ 275.15821 160.4
[M+HCOO]- 337.15915 179.2
[M+CH3COO]- 351.17480 203.2
[M+Na-2H]- 313.13562 166.8
[M]+ 292.16040 168.2
[M]- 292.16150 168.2
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.