CID 135418404

Radequinil

Structural Information

Molecular Formula
C18H14N4O3
SMILES
CC1=NC(=NO1)C2=CC3=C(C=CN=C3C4=CC(=CC=C4)OC)NC2=O
InChI
InChI=1S/C18H14N4O3/c1-10-20-17(22-25-10)14-9-13-15(21-18(14)23)6-7-19-16(13)11-4-3-5-12(8-11)24-2/h3-9H,1-2H3,(H,21,23)
InChIKey
JQOFKKWHXGQABB-UHFFFAOYSA-N
Compound name
5-(3-methoxyphenyl)-3-(5-methyl-1,2,4-oxadiazol-3-yl)-1H-1,6-naphthyridin-2-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

6
References

197
Patents

334.1066 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.11388 177.5
[M+Na]+ 357.09582 195.8
[M+NH4]+ 352.14042 183.8
[M+K]+ 373.06976 190.4
[M-H]- 333.09932 182.9
[M+Na-2H]- 355.08127 186.7
[M]+ 334.10605 181.8
[M]- 334.10715 181.8
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