CID 86728485

Nav1.8-in-4

Structural Information

Molecular Formula
C20H14F4N2O3
SMILES
CC1=C(C=CC(=C1)F)OC2=C(C=CC(=C2)C(F)(F)F)C(=O)NC3=CC(=O)NC=C3
InChI
InChI=1S/C20H14F4N2O3/c1-11-8-13(21)3-5-16(11)29-17-9-12(20(22,23)24)2-4-15(17)19(28)26-14-6-7-25-18(27)10-14/h2-10H,1H3,(H2,25,26,27,28)
InChIKey
YXHMFJXQQXHKRO-UHFFFAOYSA-N
Compound name
2-(4-fluoro-2-methylphenoxy)-N-(2-oxo-1H-pyridin-4-yl)-4-(trifluoromethyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

191
Patents

406.09406 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.10134 192.5
[M+Na]+ 429.08328 201.8
[M+NH4]+ 424.12788 194.8
[M+K]+ 445.05722 196.4
[M-H]- 405.08678 190.7
[M+Na-2H]- 427.06873 197.3
[M]+ 406.09351 192.9
[M]- 406.09461 192.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe