CID 513693

Chembl484069

Structural Information

Molecular Formula
C15H14FN3O2S
SMILES
CC1=NC(=NC=C1)N2C(SCC2=O)C3=C(C=CC=C3F)OC
InChI
InChI=1S/C15H14FN3O2S/c1-9-6-7-17-15(18-9)19-12(20)8-22-14(19)13-10(16)4-3-5-11(13)21-2/h3-7,14H,8H2,1-2H3
InChIKey
MYZMZBJUFMADMF-UHFFFAOYSA-N
Compound name
2-(2-fluoro-6-methoxyphenyl)-3-(4-methylpyrimidin-2-yl)-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

319.07907 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.08635 171.2
[M+Na]+ 342.06829 181.9
[M-H]- 318.07179 176.8
[M+NH4]+ 337.11289 184.3
[M+K]+ 358.04223 176.4
[M+H-H2O]+ 302.07633 161.4
[M+HCOO]- 364.07727 185.3
[M+CH3COO]- 378.09292 182.3
[M+Na-2H]- 340.05374 169.2
[M]+ 319.07852 173.1
[M]- 319.07962 173.1
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.