CID 3021501

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

Structural Information

Molecular Formula
C16H20ClN3S
SMILES
CC1=C(SC=N1)CCN2CCN(CC2)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C16H20ClN3S/c1-13-16(21-12-18-13)6-7-19-8-10-20(11-9-19)15-4-2-14(17)3-5-15/h2-5,12H,6-11H2,1H3
InChIKey
OWCAFQNRSDRPGQ-UHFFFAOYSA-N
Compound name
5-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-4-methyl-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

321.10666 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.11394 173.9
[M+Na]+ 344.09588 188.5
[M+NH4]+ 339.14048 183.1
[M+K]+ 360.06982 179.1
[M-H]- 320.09938 179.2
[M+Na-2H]- 342.08133 181.9
[M]+ 321.10611 178.3
[M]- 321.10721 178.3
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.