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 174.9
[M+Na]+ 369.04282 185.0
[M-H]- 345.04632 179.7
[M+NH4]+ 364.08742 185.4
[M+K]+ 385.01676 178.6
[M+H-H2O]+ 329.05086 164.9
[M+HCOO]- 391.05180 190.7
[M+CH3COO]- 405.06745 185.2
[M+Na-2H]- 367.02827 175.3
[M]+ 346.05305 176.6
[M]- 346.05415 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.