CID 3021507

Piperazine, 1-(3,4-dichlorophenyl)-4-(2-(4-methyl-5-thiazolyl)ethyl)-, trihydrochloride

Structural Information

Molecular Formula
C16H19Cl2N3S
SMILES
CC1=C(SC=N1)CCN2CCN(CC2)C3=CC(=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)13-2-3-14(17)15(18)10-13/h2-3,10-11H,4-9H2,1H3
InChIKey
WKVVLLYOLNSTFI-UHFFFAOYSA-N
Compound name
5-[2-[4-(3,4-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 180.4
[M+Na]+ 378.05692 189.4
[M-H]- 354.06042 185.2
[M+NH4]+ 373.10152 193.2
[M+K]+ 394.03086 181.9
[M+H-H2O]+ 338.06496 171.4
[M+HCOO]- 400.06590 183.2
[M+CH3COO]- 414.08155 189.6
[M+Na-2H]- 376.04237 176.5
[M]+ 355.06715 182.3
[M]- 355.06825 182.3
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.