CID 45791846

1193387-25-5

Structural Information

Molecular Formula
C14H14FN5S
SMILES
C1CN(CCN1)C2=NN3C=C(N=C3S2)C4=CC=C(C=C4)F
InChI
InChI=1S/C14H14FN5S/c15-11-3-1-10(2-4-11)12-9-20-13(17-12)21-14(18-20)19-7-5-16-6-8-19/h1-4,9,16H,5-8H2
InChIKey
JPENIWLPUUKNCM-UHFFFAOYSA-N
Compound name
6-(4-fluorophenyl)-2-piperazin-1-ylimidazo[2,1-b][1,3,4]thiadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

303.0954 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.10268 165.1
[M+Na]+ 326.08462 176.1
[M-H]- 302.08812 167.9
[M+NH4]+ 321.12922 178.2
[M+K]+ 342.05856 169.3
[M+H-H2O]+ 286.09266 155.3
[M+HCOO]- 348.09360 176.0
[M+CH3COO]- 362.10925 175.3
[M+Na-2H]- 324.07007 164.0
[M]+ 303.09485 163.4
[M]- 303.09595 163.4
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.