CID 24842208

1-(2-(4-methyl-2-(methylthio)-5-thiazolyl)ethyl)-4-(2-methylphenyl)piperazine 3hcl dihydrate

Structural Information

Molecular Formula
C18H25N3S2
SMILES
CC1=CC=CC=C1N2CCN(CC2)CCC3=C(N=C(S3)SC)C
InChI
InChI=1S/C18H25N3S2/c1-14-6-4-5-7-16(14)21-12-10-20(11-13-21)9-8-17-15(2)19-18(22-3)23-17/h4-7H,8-13H2,1-3H3
InChIKey
ZGOPZTGBGLDHCK-UHFFFAOYSA-N
Compound name
4-methyl-5-[2-[4-(2-methylphenyl)piperazin-1-yl]ethyl]-2-methylsulfanyl-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

347.149 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.15628 179.5
[M+Na]+ 370.13822 192.6
[M+NH4]+ 365.18282 188.3
[M+K]+ 386.11216 182.1
[M-H]- 346.14172 184.9
[M+Na-2H]- 368.12367 185.9
[M]+ 347.14845 184.0
[M]- 347.14955 184.0
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.