CID 3039609

50871-37-9

Structural Information

Molecular Formula
C14H16FN3OS
SMILES
CN1CCN(CC1)C2=NC(=O)C(S2)C3=CC=C(C=C3)F
InChI
InChI=1S/C14H16FN3OS/c1-17-6-8-18(9-7-17)14-16-13(19)12(20-14)10-2-4-11(15)5-3-10/h2-5,12H,6-9H2,1H3
InChIKey
BBKCRPJFWSXJTG-UHFFFAOYSA-N
Compound name
5-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.09982 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.10710 166.4
[M+Na]+ 316.08904 175.0
[M-H]- 292.09254 171.0
[M+NH4]+ 311.13364 180.4
[M+K]+ 332.06298 169.6
[M+H-H2O]+ 276.09708 156.6
[M+HCOO]- 338.09802 177.9
[M+CH3COO]- 352.11367 176.7
[M+Na-2H]- 314.07449 163.4
[M]+ 293.09927 163.3
[M]- 293.10037 163.3
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.