CID 43841556

1-{[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl}piperazine dihydrochloride

Structural Information

Molecular Formula
C14H16FN3S
SMILES
C1CN(CCN1)CC2=NC(=CS2)C3=CC=C(C=C3)F
InChI
InChI=1S/C14H16FN3S/c15-12-3-1-11(2-4-12)13-10-19-14(17-13)9-18-7-5-16-6-8-18/h1-4,10,16H,5-9H2
InChIKey
FSWCUCIXUPOPCE-UHFFFAOYSA-N
Compound name
4-(4-fluorophenyl)-2-(piperazin-1-ylmethyl)-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

277.1049 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.11218 160.5
[M+Na]+ 300.09412 167.8
[M-H]- 276.09762 163.4
[M+NH4]+ 295.13872 174.0
[M+K]+ 316.06806 161.5
[M+H-H2O]+ 260.10216 150.6
[M+HCOO]- 322.10310 171.7
[M+CH3COO]- 336.11875 170.3
[M+Na-2H]- 298.07957 159.7
[M]+ 277.10435 155.6
[M]- 277.10545 155.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.