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 201.2
[M+Na]+ 487.03222 211.8
[M-H]- 463.03572 203.4
[M+NH4]+ 482.07682 208.5
[M+K]+ 503.00616 205.0
[M+H-H2O]+ 447.04026 189.0
[M+HCOO]- 509.04120 204.8
[M+CH3COO]- 523.05685 233.8
[M+Na-2H]- 485.01767 201.5
[M]+ 464.04245 199.0
[M]- 464.04355 199.0
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

No patent data available for this compound.