CID 3021522

Piperazine, 1-(4-chlorophenyl)-4-(2-(2-(ethylthio)-4-methyl-5-thiazolyl)ethyl)-, trihydrochloride

Structural Information

Molecular Formula
C18H24ClN3S2
SMILES
CCSC1=NC(=C(S1)CCN2CCN(CC2)C3=CC=C(C=C3)Cl)C
InChI
InChI=1S/C18H24ClN3S2/c1-3-23-18-20-14(2)17(24-18)8-9-21-10-12-22(13-11-21)16-6-4-15(19)5-7-16/h4-7H,3,8-13H2,1-2H3
InChIKey
FSMXYXWRITVBOB-UHFFFAOYSA-N
Compound name
5-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-2-ethylsulfanyl-4-methyl-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

381.11002 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.11730 185.1
[M+Na]+ 404.09924 193.7
[M-H]- 380.10274 190.4
[M+NH4]+ 399.14384 197.2
[M+K]+ 420.07318 185.7
[M+H-H2O]+ 364.10728 177.0
[M+HCOO]- 426.10822 187.7
[M+CH3COO]- 440.12387 193.9
[M+Na-2H]- 402.08469 179.8
[M]+ 381.10947 187.9
[M]- 381.11057 187.9
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.