CID 156880

Benzamide, 2,6-difluoro-n-(((6-(3-(trifluoromethyl)phenoxy)-3-pyridinyl)amino)carbonyl)-

Structural Information

Molecular Formula
C20H12F5N3O3
SMILES
C1=CC(=CC(=C1)OC2=NC=C(C=C2)NC(=O)NC(=O)C3=C(C=CC=C3F)F)C(F)(F)F
InChI
InChI=1S/C20H12F5N3O3/c21-14-5-2-6-15(22)17(14)18(29)28-19(30)27-12-7-8-16(26-10-12)31-13-4-1-3-11(9-13)20(23,24)25/h1-10H,(H2,27,28,29,30)
InChIKey
DMBUBTMSKOXICK-UHFFFAOYSA-N
Compound name
2,6-difluoro-N-[[6-[3-(trifluoromethyl)phenoxy]pyridin-3-yl]carbamoyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

437.0799 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 438.08718 197.4
[M+Na]+ 460.06912 205.1
[M-H]- 436.07262 199.8
[M+NH4]+ 455.11372 204.3
[M+K]+ 476.04306 199.1
[M+H-H2O]+ 420.07716 182.6
[M+HCOO]- 482.07810 213.5
[M+CH3COO]- 496.09375 231.0
[M+Na-2H]- 458.05457 198.5
[M]+ 437.07935 191.9
[M]- 437.08045 191.9
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