CID 139030249

N-{3-[(2r,3r)-5-amino-3-methyl-2-(trifluoromethyl)-3,6-dihydro-2h-1,4-oxazin-3-yl]-4-fluorophenyl}-3,5-dichloropyridine-2-carboxamide

Structural Information

Molecular Formula
C18H14Cl2F4N4O2
SMILES
C[C@]1([C@@H](OCC(=N1)N)C(F)(F)F)C2=C(C=CC(=C2)NC(=O)C3=C(C=C(C=N3)Cl)Cl)F
InChI
InChI=1S/C18H14Cl2F4N4O2/c1-17(16(18(22,23)24)30-7-13(25)28-17)10-5-9(2-3-12(10)21)27-15(29)14-11(20)4-8(19)6-26-14/h2-6,16H,7H2,1H3,(H2,25,28)(H,27,29)/t16-,17-/m1/s1
InChIKey
VLILPGWCHAEKPY-IAGOWNOFSA-N
Compound name
N-[3-[(2R,3R)-5-amino-3-methyl-2-(trifluoromethyl)-2,6-dihydro-1,4-oxazin-3-yl]-4-fluorophenyl]-3,5-dichloropyridine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

464.043 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 465.05028 194.2
[M+Na]+ 487.03222 203.2
[M+NH4]+ 482.07682 197.9
[M+K]+ 503.00616 197.0
[M-H]- 463.03572 193.6
[M+Na-2H]- 485.01767 198.9
[M]+ 464.04245 195.5
[M]- 464.04355 195.5
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.