CID 118753260

Mc86wa2vkz

Structural Information

Molecular Formula
C15H11FN4O3S
SMILES
CC1=CSC(=N1)NC(=O)C2=CC(=CC(=C2)F)OC3=CN=CNC3=O
InChI
InChI=1S/C15H11FN4O3S/c1-8-6-24-15(19-8)20-13(21)9-2-10(16)4-11(3-9)23-12-5-17-7-18-14(12)22/h2-7H,1H3,(H,17,18,22)(H,19,20,21)
InChIKey
VWCQVFVHLJVTDY-UHFFFAOYSA-N
Compound name
3-fluoro-N-(4-methyl-1,3-thiazol-2-yl)-5-[(6-oxo-1H-pyrimidin-5-yl)oxy]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

346.0536 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.06088 175.8
[M+Na]+ 369.04282 188.0
[M+NH4]+ 364.08742 180.8
[M+K]+ 385.01676 182.6
[M-H]- 345.04632 177.7
[M+Na-2H]- 367.02827 182.8
[M]+ 346.05305 178.2
[M]- 346.05415 178.2
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.