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 174.1
[M+Na]+ 344.09588 182.3
[M-H]- 320.09938 179.5
[M+NH4]+ 339.14048 187.7
[M+K]+ 360.06982 175.5
[M+H-H2O]+ 304.10392 164.7
[M+HCOO]- 366.10486 182.2
[M+CH3COO]- 380.12051 184.0
[M+Na-2H]- 342.08133 171.8
[M]+ 321.10611 174.8
[M]- 321.10721 174.8
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.