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 178.9
[M+Na]+ 370.13822 187.3
[M-H]- 346.14172 184.4
[M+NH4]+ 365.18282 191.6
[M+K]+ 386.11216 180.2
[M+H-H2O]+ 330.14626 170.6
[M+HCOO]- 392.14720 186.2
[M+CH3COO]- 406.16285 188.3
[M+Na-2H]- 368.12367 174.1
[M]+ 347.14845 180.1
[M]- 347.14955 180.1
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.