CID 50990953

Vu0409106

Structural Information

Molecular Formula
C15H11FN4O2S
SMILES
CC1=CSC(=N1)NC(=O)C2=CC(=CC(=C2)F)OC3=CN=CN=C3
InChI
InChI=1S/C15H11FN4O2S/c1-9-7-23-15(19-9)20-14(21)10-2-11(16)4-12(3-10)22-13-5-17-8-18-6-13/h2-8H,1H3,(H,19,20,21)
InChIKey
AXVLPJHYYFHCHK-UHFFFAOYSA-N
Compound name
3-fluoro-N-(4-methyl-1,3-thiazol-2-yl)-5-pyrimidin-5-yloxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

5
Patents

330.0587 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.06598 171.5
[M+Na]+ 353.04792 181.4
[M-H]- 329.05142 177.3
[M+NH4]+ 348.09252 183.4
[M+K]+ 369.02186 175.7
[M+H-H2O]+ 313.05596 161.1
[M+HCOO]- 375.05690 188.5
[M+CH3COO]- 389.07255 182.4
[M+Na-2H]- 351.03337 172.9
[M]+ 330.05815 174.0
[M]- 330.05925 174.0
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

patents stripe