CID 3021505

Piperazine, 1-(2,4-dichlorophenyl)-4-(2-(4-methyl-5-thiazolyl)ethyl)-, dihydrochloride

Structural Information

Molecular Formula
C16H19Cl2N3S
SMILES
CC1=C(SC=N1)CCN2CCN(CC2)C3=C(C=C(C=C3)Cl)Cl
InChI
InChI=1S/C16H19Cl2N3S/c1-12-16(22-11-19-12)4-5-20-6-8-21(9-7-20)15-3-2-13(17)10-14(15)18/h2-3,10-11H,4-9H2,1H3
InChIKey
AMDRADRUMJBSFL-UHFFFAOYSA-N
Compound name
5-[2-[4-(2,4-dichlorophenyl)piperazin-1-yl]ethyl]-4-methyl-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

355.0677 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.07498 181.1
[M+Na]+ 378.05692 196.4
[M+NH4]+ 373.10152 190.2
[M+K]+ 394.03086 186.4
[M-H]- 354.06042 186.1
[M+Na-2H]- 376.04237 188.5
[M]+ 355.06715 185.8
[M]- 355.06825 185.8
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.