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]+ 347.060876 174.9
[M+Na]+ 369.042818 185.0
[M-H]- 345.046324 179.7
[M+NH4]+ 364.087423 185.4
[M+K]+ 385.016758 178.6
[M+H-H2O]+ 329.050860 164.9
[M+HCOO]- 391.051801 190.7
[M+CH3COO]- 405.067451 185.2
[M+Na-2H]- 367.028266 175.3
[M]+ 346.05305142 176.6
[M]- 346.05414858 176.6
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.