CID 134466829

4-bromo-1-methoxy-3-(methylamino)-6-(trifluoromethyl)-1,2-dihydropyridin-2-one

Structural Information

Molecular Formula
C8H8BrF3N2O2
SMILES
CNC1=C(C=C(N(C1=O)OC)C(F)(F)F)Br
InChI
InChI=1S/C8H8BrF3N2O2/c1-13-6-4(9)3-5(8(10,11)12)14(16-2)7(6)15/h3,13H,1-2H3
InChIKey
BMDKTYOZVFMJCA-UHFFFAOYSA-N
Compound name
4-bromo-1-methoxy-3-(methylamino)-6-(trifluoromethyl)pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

299.9721 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.97938 153.2
[M+Na]+ 322.96132 167.2
[M-H]- 298.96482 155.5
[M+NH4]+ 318.00592 171.3
[M+K]+ 338.93526 155.4
[M+H-H2O]+ 282.96936 150.0
[M+HCOO]- 344.97030 171.1
[M+CH3COO]- 358.98595 201.0
[M+Na-2H]- 320.94677 158.9
[M]+ 299.97155 170.3
[M]- 299.97265 170.3
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