CID 122609622

Umifoxolaner

Structural Information

Molecular Formula
C26H16ClF10N3O3
SMILES
C1C(=NO[C@@]1(C2=CC(=C(C(=C2)Cl)F)C(F)(F)F)C(F)(F)F)C3=CC=C(C4=CC=CC=C43)C(=O)NCC(=O)NCC(F)(F)F
InChI
InChI=1S/C26H16ClF10N3O3/c27-18-8-12(7-17(21(18)28)25(32,33)34)23(26(35,36)37)9-19(40-43-23)15-5-6-16(14-4-2-1-3-13(14)15)22(42)38-10-20(41)39-11-24(29,30)31/h1-8H,9-11H2,(H,38,42)(H,39,41)/t23-/m0/s1
InChIKey
TVYPNAKLSTUPJB-QHCPKHFHSA-N
Compound name
4-[(5S)-5-[3-chloro-4-fluoro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]naphthalene-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

194
Patents

643.072 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 644.07928 204.6
[M+Na]+ 666.06122 205.4
[M+NH4]+ 661.10582 203.5
[M+K]+ 682.03516 202.9
[M-H]- 642.06472 199.5
[M+Na-2H]- 664.04667 203.0
[M]+ 643.07145 203.0
[M]- 643.07255 203.0
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