CID 118753261

Chembl3527123

Structural Information

Molecular Formula
C15H11FN4O4S
SMILES
CC1=CSC(=N1)NC(=O)C2=CC(=CC(=C2)F)OC3=CNC(=O)NC3=O
InChI
InChI=1S/C15H11FN4O4S/c1-7-6-25-15(18-7)20-12(21)8-2-9(16)4-10(3-8)24-11-5-17-14(23)19-13(11)22/h2-6H,1H3,(H,18,20,21)(H2,17,19,22,23)
InChIKey
MJXITVJSQJJGEJ-UHFFFAOYSA-N
Compound name
3-[(2,4-dioxo-1H-pyrimidin-5-yl)oxy]-5-fluoro-N-(4-methyl-1,3-thiazol-2-yl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

362.0485 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.05578 178.1
[M+Na]+ 385.03772 188.5
[M-H]- 361.04122 181.9
[M+NH4]+ 380.08232 187.4
[M+K]+ 401.01166 181.3
[M+H-H2O]+ 345.04576 168.6
[M+HCOO]- 407.04670 192.6
[M+CH3COO]- 421.06235 208.3
[M+Na-2H]- 383.02317 177.6
[M]+ 362.04795 179.2
[M]- 362.04905 179.2
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.