CID 3012197

Chembl520664

Structural Information

Molecular Formula
C15H13F2N3O2S
SMILES
CC1=CC(=NC(=N1)N2C(SCC2=O)C3=C(C=CC=C3F)F)OC
InChI
InChI=1S/C15H13F2N3O2S/c1-8-6-11(22-2)19-15(18-8)20-12(21)7-23-14(20)13-9(16)4-3-5-10(13)17/h3-6,14H,7H2,1-2H3
InChIKey
XOXYSIVPPHBJIS-UHFFFAOYSA-N
Compound name
2-(2,6-difluorophenyl)-3-(4-methoxy-6-methylpyrimidin-2-yl)-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

337.06964 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.07692 173.9
[M+Na]+ 360.05886 185.5
[M-H]- 336.06236 178.5
[M+NH4]+ 355.10346 186.5
[M+K]+ 376.03280 179.4
[M+H-H2O]+ 320.06690 163.3
[M+HCOO]- 382.06784 186.9
[M+CH3COO]- 396.08349 184.7
[M+Na-2H]- 358.04431 170.6
[M]+ 337.06909 175.2
[M]- 337.07019 175.2
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.