CID 135446955

Nsc726419

Structural Information

Molecular Formula
C14H11F2N3O2S
SMILES
CC1=CC(=O)NC(=N1)N2C(SCC2=O)C3=C(C=CC=C3F)F
InChI
InChI=1S/C14H11F2N3O2S/c1-7-5-10(20)18-14(17-7)19-11(21)6-22-13(19)12-8(15)3-2-4-9(12)16/h2-5,13H,6H2,1H3,(H,17,18,20)
InChIKey
LCQKSJVKYOELCJ-UHFFFAOYSA-N
Compound name
2-(2,6-difluorophenyl)-3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

323.05402 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.06130 169.5
[M+Na]+ 346.04324 181.4
[M-H]- 322.04674 172.9
[M+NH4]+ 341.08784 181.9
[M+K]+ 362.01718 174.0
[M+H-H2O]+ 306.05128 159.6
[M+HCOO]- 368.05222 181.5
[M+CH3COO]- 382.06787 180.1
[M+Na-2H]- 344.02869 166.4
[M]+ 323.05347 168.0
[M]- 323.05457 168.0
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.