CID 3039612

50871-41-5

Structural Information

Molecular Formula
C16H20FN3OS
SMILES
CCCN1CCN(CC1)C2=NC(=O)C(S2)C3=CC=C(C=C3)F
InChI
InChI=1S/C16H20FN3OS/c1-2-7-19-8-10-20(11-9-19)16-18-15(21)14(22-16)12-3-5-13(17)6-4-12/h3-6,14H,2,7-11H2,1H3
InChIKey
CQIWKCGJYBXASZ-UHFFFAOYSA-N
Compound name
5-(4-fluorophenyl)-2-(4-propylpiperazin-1-yl)-1,3-thiazol-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

321.1311 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.13838 174.9
[M+Na]+ 344.12032 182.5
[M-H]- 320.12382 179.1
[M+NH4]+ 339.16492 187.6
[M+K]+ 360.09426 176.7
[M+H-H2O]+ 304.12836 164.6
[M+HCOO]- 366.12930 185.6
[M+CH3COO]- 380.14495 184.3
[M+Na-2H]- 342.10577 171.0
[M]+ 321.13055 172.4
[M]- 321.13165 172.4
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.