CID 118703724

2-pyridinecarboxamide, 4-[4-[[[[2-chloro-3-(trifluoromethyl)phenyl]amino]carbonyl]amino]phenoxy]-n-methyl-

Structural Information

Molecular Formula
C21H16ClF3N4O3
SMILES
CNC(=O)C1=NC=CC(=C1)OC2=CC=C(C=C2)NC(=O)NC3=CC=CC(=C3Cl)C(F)(F)F
InChI
InChI=1S/C21H16ClF3N4O3/c1-26-19(30)17-11-14(9-10-27-17)32-13-7-5-12(6-8-13)28-20(31)29-16-4-2-3-15(18(16)22)21(23,24)25/h2-11H,1H3,(H,26,30)(H2,28,29,31)
InChIKey
JWAKXXCHFJSKRN-UHFFFAOYSA-N
Compound name
4-[4-[[2-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

464.0863 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 465.09358 204.2
[M+Na]+ 487.07552 211.2
[M-H]- 463.07902 209.0
[M+NH4]+ 482.12012 210.8
[M+K]+ 503.04946 204.8
[M+H-H2O]+ 447.08356 191.6
[M+HCOO]- 509.08450 218.9
[M+CH3COO]- 523.10015 237.3
[M+Na-2H]- 485.06097 206.5
[M]+ 464.08575 203.5
[M]- 464.08685 203.5
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

No patent data available for this compound.