CID 3012191

Nsc726415

Structural Information

Molecular Formula
C14H10ClF2N3OS
SMILES
CC1=CC(=NC(=N1)N2C(SCC2=O)C3=C(C=CC=C3F)F)Cl
InChI
InChI=1S/C14H10ClF2N3OS/c1-7-5-10(15)19-14(18-7)20-11(21)6-22-13(20)12-8(16)3-2-4-9(12)17/h2-5,13H,6H2,1H3
InChIKey
JBPUBUJMBJWWTI-UHFFFAOYSA-N
Compound name
3-(4-chloro-6-methylpyrimidin-2-yl)-2-(2,6-difluorophenyl)-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

341.0201 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.02738 171.8
[M+Na]+ 364.00932 184.6
[M-H]- 340.01282 176.3
[M+NH4]+ 359.05392 185.2
[M+K]+ 379.98326 176.9
[M+H-H2O]+ 324.01736 161.8
[M+HCOO]- 386.01830 180.2
[M+CH3COO]- 400.03395 182.8
[M+Na-2H]- 361.99477 168.4
[M]+ 341.01955 173.3
[M]- 341.02065 173.3
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.